data_1e0e_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 1e0e _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.336 0.113 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.303 0.096 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.285 0.088 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.354 0.121 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.426 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.413 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.449 0.166 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.359 0.123 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.415 0.15 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.333 0.111 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 28' ' ' ILE . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.851 -0.055 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.422 HD12 HG22 ' B' ' 28' ' ' ILE . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.45 0.167 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.368 0.128 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.447 0.165 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 HD11 ' A' ' 36' ' ' ILE . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.45 0.167 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.439 HG22 HD11 ' B' ' 36' ' ' ILE . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.264 0.078 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.225 0.06 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CD ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.345 0.117 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.41 ' CD ' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.561 0.22 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.479 0.18 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.438 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.399 0.142 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.494 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.299 0.095 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.29 0.091 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.247 0.07 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.413 0.149 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.413 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.389 0.138 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 36' ' ' ILE . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.746 -0.094 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.431 HG23 HD11 ' B' ' 36' ' ' ILE . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.297 0.094 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 120.331 0.11 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 36' ' ' ILE . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.387 0.137 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 36' ' ' ILE . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.264 0.078 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.206 0.05 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.514 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.379 0.133 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.404 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.404 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.373 0.13 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 120.262 0.077 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.546 0.212 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.427 0.156 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.405 0.145 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.196 0.046 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.308 0.099 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.378 0.132 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' ILE . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.48 0.181 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.453 HG22 HD11 ' B' ' 28' ' ' ILE . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.414 0.15 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.415 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.307 0.099 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 120.306 0.098 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.454 ' CG ' ' CD2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' CG ' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.499 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.375 0.131 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 36' ' ' ILE . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.373 0.13 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 120.439 0.161 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' B' ' 32' ' ' VAL . 43.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.716 0.293 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.25 15.53 7.49 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.08 -61.73 1.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -89.14 -23.56 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.575 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.23 -36.55 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.526 0.203 . . . . 0.0 111.193 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.5 -59.24 12.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -56.64 -49.11 75.98 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.36 133.6 39.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.438 ' CZ ' ' CG2' ' A' ' 32' ' ' VAL . 43.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.769 0.318 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.31 15.51 7.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.09 -61.74 1.82 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -89.02 -23.63 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.664 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.21 -36.69 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 111.257 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.33 -59.3 12.39 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 1' ' ' PHE . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.42 133.63 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.413 ' CZ ' HG21 ' B' ' 32' ' ' VAL . 11.7 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 1' ' ' PHE . 3.9 mm? -90.21 17.53 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -90.13 -54.04 4.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -90.3 -27.84 19.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.4 mt -72.96 -37.49 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.89 -59.29 12.02 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.405 HG21 ' CZ ' ' B' ' 1' ' ' PHE . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -76.53 -69.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.08 113.34 14.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.988 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.405 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 11.5 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.804 0.335 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' B' ' 1' ' ' PHE . 4.0 mm? -90.21 17.58 6.92 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.063 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -90.16 -54.03 4.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.995 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -90.11 -27.84 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.21 -37.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.9 -59.39 11.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.069 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.426 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.413 HG21 ' CZ ' ' A' ' 1' ' ' PHE . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.413 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -76.29 -69.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -76.77 113.39 14.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.823 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' CZ ' ' CG2' ' B' ' 32' ' ' VAL . 42.9 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.888 0.375 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.9 -20.65 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.374 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.29 -41.09 73.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.514 0.197 . . . . 0.0 111.428 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -90.82 -22.68 20.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.645 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD13 ' CG ' ' A' ' 1' ' ' PHE . 34.6 mt -82.82 -34.5 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.472 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.98 -53.97 61.17 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.09 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.13 153.46 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.813 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.419 ' CG ' HD13 ' B' ' 5' ' ' ILE . 43.1 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.782 0.325 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.07 -20.42 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.423 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.34 -41.12 73.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.618 0.247 . . . . 0.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -90.82 -22.7 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.637 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.419 HD13 ' CG ' ' B' ' 1' ' ' PHE . 35.0 mt -82.67 -34.62 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.93 -53.87 62.17 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 1' ' ' PHE . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.38 -42.66 98.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.19 153.41 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.151 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.811 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 5' ' ' ILE . 31.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.63 17.77 7.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.61 -60.13 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -22.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.673 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 1' ' ' PHE . 49.6 mt -75.08 -37.2 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.669 0.271 . . . . 0.0 111.286 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -58.14 16.57 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.978 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.87 -41.88 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -91.48 23.59 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.206 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.992 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' B' ' 5' ' ' ILE . 31.2 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.878 0.371 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.62 17.73 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.934 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.59 -60.26 2.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -22.76 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.71 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' B' ' 1' ' ' PHE . 49.7 mt -74.92 -37.32 41.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.615 0.245 . . . . 0.0 111.294 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -58.11 16.8 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.024 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.81 -42.1 88.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -91.49 23.68 3.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.196 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.002 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' A' ' 5' ' ' ILE . 62.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.63 -14.43 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.22 -66.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.62 0.248 . . . . 0.0 111.577 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -25.57 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 1' ' ' PHE . 67.1 mt -70.16 -32.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.676 0.274 . . . . 0.0 111.252 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -61.14 8.27 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 28' ' ' ILE . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.26 -40.23 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.68 107.51 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.799 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' B' ' 5' ' ' ILE . 62.6 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.63 -14.56 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.816 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.94 -66.65 0.36 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 111.704 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -25.47 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.423 HD13 ' CD1' ' B' ' 1' ' ' PHE . 68.1 mt -70.29 -32.64 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.602 0.239 . . . . 0.0 111.175 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.69 -61.14 8.3 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.422 HD12 HG22 ' B' ' 28' ' ' ILE . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.24 -40.14 89.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.74 107.48 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.817 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.429 ' CE1' HD12 ' A' ' 5' ' ' ILE . 23.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.35 -23.93 67.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.344 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.03 -53.19 56.41 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -89.62 -21.36 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 1' ' ' PHE . 77.6 mt -79.42 -32.34 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.302 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.89 -56.08 38.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.69 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.53 -53.88 48.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.67 145.53 27.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' B' ' 5' ' ' ILE . 23.3 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.631 0.253 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.43 -23.89 67.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.374 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.92 -53.46 52.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -89.45 -21.26 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.955 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' B' ' 1' ' ' PHE . 77.5 mt -79.52 -32.32 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.509 0.195 . . . . 0.0 111.357 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.83 -56.12 38.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.71 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.59 -53.72 50.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -85.72 145.55 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.913 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' A' ' 5' ' ' ILE . 25.1 t80 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.776 0.322 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.3 -13.1 62.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.772 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.9 -37.63 18.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -90.94 -23.97 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' A' ' 1' ' ' PHE . 26.8 mt -82.7 -36.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.559 0.219 . . . . 0.0 111.407 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -54.67 50.39 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 HD11 ' A' ' 36' ' ' ILE . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.35 -55.79 27.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -168.51 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 mttp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.817 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' B' ' 5' ' ' ILE . 25.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.32 -13.1 62.03 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.838 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.88 -37.53 19.04 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -90.93 -24.15 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.408 HD13 ' CD1' ' B' ' 1' ' ' PHE . 26.1 mt -82.39 -36.63 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.509 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -54.6 51.41 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.439 HG22 HD11 ' B' ' 36' ' ' ILE . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.28 -55.64 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.33 -168.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mttp . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' CE2' HG23 ' B' ' 32' ' ' VAL . 45.1 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.75 0.31 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.43 16.27 7.85 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.973 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.4 -59.42 2.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -83.77 -28.1 28.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.327 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.28 -33.4 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -62.12 6.03 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG23 ' CE2' ' B' ' 1' ' ' PHE . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.71 -42.07 82.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.93 116.33 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.96 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.429 ' CE2' HG23 ' A' ' 32' ' ' VAL . 44.7 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 16.31 7.51 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.36 -59.46 2.18 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -83.84 -28.09 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.24 -33.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -62.22 5.84 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.428 HG23 ' CE2' ' A' ' 1' ' ' PHE . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.69 -42.12 82.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -84.81 116.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.968 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.403 ' CG ' HD13 ' A' ' 5' ' ' ILE . 11.9 t80 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.878 0.371 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.29 -23.06 66.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.406 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -72.94 -38.12 66.92 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.2 -25.47 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD13 ' CG ' ' A' ' 1' ' ' PHE . 47.5 mt -81.45 -39.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.65 -53.19 67.23 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.221 -0.191 . . . . 0.0 111.231 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CD ' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.15 -62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.23 127.11 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.817 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -23.11 66.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.399 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.87 -38.15 67.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.13 -25.49 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 47.9 mt -81.58 -39.0 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -56.64 -53.19 67.17 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.251 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.41 ' CD ' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.26 -62.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.06 127.18 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.761 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.425 ' CD1' ' CD1' ' A' ' 5' ' ' ILE . 34.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.775 0.322 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.71 -9.22 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -61.32 2.18 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.687 0.279 . . . . 0.0 111.419 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.1 -11.52 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' CD1' ' CD1' ' A' ' 1' ' ' PHE . 74.1 mt -87.69 -32.52 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -52.75 72.44 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.95 -38.65 89.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.45 141.57 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' B' ' 5' ' ' ILE . 33.9 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.787 0.327 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.8 -9.03 56.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 -61.27 2.19 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.29 . . . . 0.0 111.49 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.08 -11.59 54.93 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' B' ' 1' ' ' PHE . 73.6 mt -87.65 -32.53 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.187 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.15 -52.76 72.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.79 -38.69 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.58 141.61 29.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.433 ' CE2' ' CG2' ' B' ' 32' ' ' VAL . 34.9 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.8 mt -90.3 15.99 9.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.051 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -90.59 -53.91 4.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.889 0.376 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -89.99 -23.03 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.593 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.419 HD11 ' CD1' ' A' ' 1' ' ' PHE . 60.7 mt -77.92 -37.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.582 0.229 . . . . 0.0 111.191 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -57.25 24.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.438 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.44 -50.91 71.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -67.34 -177.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.901 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 35.0 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.7 mt -90.31 16.03 9.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.097 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.66 -53.9 4.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.759 0.314 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -90.13 -22.75 21.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.42 HD11 ' CD1' ' B' ' 1' ' ' PHE . 60.6 mt -77.94 -37.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.791 0.329 . . . . 0.0 111.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -57.21 23.86 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.143 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.494 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.433 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.2 -51.04 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -67.34 -177.76 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.919 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.0 mt -90.42 17.99 6.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -84.74 -59.38 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -90.12 -27.18 19.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 1' ' ' PHE . 57.1 mt -70.98 -35.46 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.67 -60.68 8.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.78 -55.35 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.8 147.64 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.446 ' CE1' ' CD1' ' B' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.827 0.346 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -90.45 18.15 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -84.78 -59.39 2.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -90.12 -27.28 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.446 ' CD1' ' CE1' ' B' ' 1' ' ' PHE . 57.0 mt -71.0 -35.47 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.72 -60.62 8.8 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.87 -55.41 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.73 147.64 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.662 0.268 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.09 14.16 8.06 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.21 -55.96 3.91 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.918 0.39 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -90.06 -24.57 21.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -73.07 -34.81 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.568 0.223 . . . . 0.0 111.325 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -59.23 14.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' B' ' 1' ' ' PHE . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.84 -42.24 99.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.04 160.64 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 32' ' ' VAL . 8.1 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.59 0.233 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.32 14.1 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.36 -55.81 3.97 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.819 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -90.11 -24.69 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.446 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -72.92 -34.91 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -59.16 14.72 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.931 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.413 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.83 -42.39 99.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -81.92 160.71 23.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.832 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 5' ' ' ILE . 7.7 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.793 0.33 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.39 -26.97 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.254 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.52 -46.2 80.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.6 -25.58 20.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.806 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 1' ' ' PHE . 63.8 mt -77.33 -34.21 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.92 -56.77 32.28 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 36' ' ' ILE . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -55.08 39.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.39 130.08 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' B' ' 5' ' ' ILE . 7.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.71 0.29 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.32 -26.71 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.74 -46.27 81.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.27 . . . . 0.0 111.669 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.43 -25.63 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.804 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.454 ' CD1' ' CD2' ' B' ' 1' ' ' PHE . 63.8 mt -77.46 -34.15 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.513 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.92 -56.68 33.16 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.746 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.431 HG23 HD11 ' B' ' 36' ' ' ILE . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -55.06 39.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.44 130.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.17 14.39 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.856 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.43 -52.8 4.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.192 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.11 -25.6 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.857 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.5 mt -75.49 -41.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -56.87 24.95 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.047 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.73 85.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.41 147.32 36.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.84 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.916 0.388 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt -90.13 14.43 12.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.902 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.51 -52.74 4.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.23 -25.5 19.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.858 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -75.48 -41.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.526 0.203 . . . . 0.0 111.503 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -56.81 25.31 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.126 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.81 84.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.39 147.34 36.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.799 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.402 ' CE2' ' CG2' ' B' ' 32' ' ' VAL . 31.8 t80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.035 0.445 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.96 19.54 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.985 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.02 -65.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.683 0.278 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -83.75 -22.09 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.74 -34.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.62 0.248 . . . . 0.0 110.986 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.43 -59.44 12.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 36' ' ' ILE . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.67 -38.77 77.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.66 -178.54 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.997 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.021 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.426 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 31.7 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.83 19.2 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.74 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 111.289 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -83.58 -22.21 32.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.667 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.406 HD11 ' CE1' ' B' ' 1' ' ' PHE . 67.7 mt -74.74 -33.92 32.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.544 0.212 . . . . 0.0 111.058 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -56.74 -59.38 12.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.782 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.402 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 36' ' ' ILE . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.73 -38.69 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -78.75 -178.61 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 5' ' ' ILE . 64.9 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.353 0.121 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -18.53 60.44 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.61 -51.81 68.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.2 -28.87 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.343 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.412 HD11 ' CD2' ' A' ' 1' ' ' PHE . 26.7 mt -67.96 -34.98 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.134 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.93 -61.6 7.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.022 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -53.48 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.39 152.28 36.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.96 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' B' ' 5' ' ' ILE . 65.0 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.466 0.174 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -18.2 59.78 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -58.77 -51.81 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.185 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.03 -29.08 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.35 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' B' ' 1' ' ' PHE . 26.6 mt -67.99 -34.88 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.189 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.07 -61.51 7.68 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.514 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -53.66 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.36 152.22 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.937 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.924 0.392 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.06 17.7 6.63 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.8 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.14 -62.91 1.36 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 111.596 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -85.62 -25.33 26.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.5 mt -70.35 -37.47 70.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.574 0.226 . . . . 0.0 111.506 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -59.38 12.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.315 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.28 -38.84 88.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.55 24.09 3.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.73 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CG2' ' A' ' 32' ' ' VAL . 4.8 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.924 0.393 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.15 17.77 6.65 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.768 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.2 -63.08 1.33 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.669 0.271 . . . . 0.0 111.555 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -85.53 -25.17 26.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.897 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 43.1 mt -70.64 -37.44 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.363 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -59.52 11.55 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.333 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.11 -38.9 87.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.64 24.14 3.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.973 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.802 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.8 t80 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.935 0.398 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.13 17.29 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.66 -59.9 2.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.76 -24.0 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.54 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.7 mt -74.15 -36.05 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.589 0.233 . . . . 0.0 111.302 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.98 -58.89 12.49 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.965 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.07 -42.7 91.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.57 162.9 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.871 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.15 17.42 7.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -87.68 -59.84 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.88 -23.92 23.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.542 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 52.6 mt -74.19 -36.22 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.584 0.231 . . . . 0.0 111.293 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.66 -58.92 11.98 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -58.94 -42.84 90.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.56 162.99 14.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.92 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' A' ' 5' ' ' ILE . 72.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.712 0.292 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.66 -18.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.619 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.84 -59.92 4.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -82.56 -20.84 35.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' A' ' 1' ' ' PHE . 77.2 mt -76.31 -30.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.581 0.229 . . . . 0.0 111.155 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.02 -58.88 16.13 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -65.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -68.59 168.72 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.9 mttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.83 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.43 ' CD1' HD13 ' B' ' 5' ' ' ILE . 72.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.57 -18.45 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.741 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -59.9 4.71 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -82.51 -20.81 36.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' B' ' 1' ' ' PHE . 77.5 mt -76.34 -30.99 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.545 0.212 . . . . 0.0 111.044 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.02 -58.93 15.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.523 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.404 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.404 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -65.27 0.7 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -68.59 168.84 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.858 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.429 ' CE1' ' CG2' ' B' ' 32' ' ' VAL . 77.5 t80 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.467 0.175 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -28.77 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.094 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.17 -45.29 93.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -90.4 -22.85 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.923 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 1' ' ' PHE . 18.4 mt -77.65 -34.49 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.606 0.241 . . . . 0.0 111.394 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -57.27 27.85 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.08 -52.32 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -84.68 141.86 30.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.947 179.897 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.439 ' CZ ' ' CG2' ' A' ' 32' ' ' VAL . 77.5 t80 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.425 0.155 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -28.57 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -60.3 -45.4 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -90.23 -22.89 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' B' ' 1' ' ' PHE . 18.4 mt -77.77 -34.41 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.561 0.22 . . . . 0.0 111.289 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -57.27 27.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.429 ' CG2' ' CE1' ' A' ' 1' ' ' PHE . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.99 -52.42 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -84.59 141.78 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 5' ' ' ILE . 16.0 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.741 0.305 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.83 13.33 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.863 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.48 -53.59 4.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -89.52 -16.82 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.803 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 1' ' ' PHE . 70.2 mt -86.01 -35.53 9.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 111.105 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.62 -52.97 67.6 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' B' ' 1' ' ' PHE . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.55 -50.41 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.17 -174.4 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.13 179.789 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' B' ' 5' ' ' ILE . 15.8 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.76 13.26 12.86 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.797 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.39 -53.53 4.4 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.715 0.293 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -89.63 -16.75 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.784 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.449 ' CD1' ' CE1' ' B' ' 1' ' ' PHE . 70.5 mt -86.12 -35.37 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.84 -52.9 68.56 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.424 HG21 ' CE2' ' A' ' 1' ' ' PHE . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.53 -50.38 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.2 -174.39 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.058 179.768 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' A' ' 5' ' ' ILE . 9.8 t80 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.77 -23.9 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -57.35 -47.18 82.27 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.276 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -89.9 -30.08 18.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 1' ' ' PHE . 63.9 mt -70.01 -32.01 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.07 -62.0 6.79 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.553 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.76 -53.79 41.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.41 115.72 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.848 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' B' ' 5' ' ' ILE . 9.7 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.8 -23.72 66.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -57.62 -46.99 83.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.0 111.308 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.02 -30.0 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.423 HD13 ' CD1' ' B' ' 1' ' ' PHE . 63.8 mt -70.14 -31.87 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.07 -61.93 6.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.66 -53.8 41.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.52 115.73 26.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.677 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.733 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 t80 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.33 -22.59 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.635 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.11 -45.78 90.0 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -90.42 -27.74 19.09 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.57 -27.04 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.874 -0.148 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.34 -58.99 13.23 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -39.22 88.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.97 154.64 31.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.871 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.4 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.554 0.216 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.31 -22.52 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.11 -46.01 89.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -90.27 -27.74 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.6 -26.92 16.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.44 -58.89 13.55 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.375 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.519 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -39.25 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.95 154.76 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.784 179.906 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 5' ' ' ILE . 13.1 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.89 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.101 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.87 -57.7 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.728 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -87.83 -24.56 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' CD1' ' CE1' ' A' ' 1' ' ' PHE . 55.9 mt -74.95 -35.12 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.171 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -58.54 16.55 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG21 ' CZ ' ' B' ' 1' ' ' PHE . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -81.41 155.28 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' B' ' 5' ' ' ILE . 13.3 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.951 0.405 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.81 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.104 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.69 -57.75 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.944 0.402 . . . . 0.0 110.716 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -87.96 -24.55 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.093 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.442 ' CD1' ' CE1' ' B' ' 1' ' ' PHE . 55.8 mt -74.78 -35.42 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.119 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -58.47 16.8 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' A' ' 1' ' ' PHE . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.83 -65.05 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -81.42 155.3 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.809 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -90.16 17.52 6.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.87 -58.04 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -90.16 -26.5 20.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.2 mt -71.36 -37.07 63.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 -57.15 -60.24 10.23 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.985 -179.787 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -53.79 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.86 177.48 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.766 179.728 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.646 0.26 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -90.32 17.55 7.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.74 -58.17 2.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 110.952 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -90.12 -26.46 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.389 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 52.2 mt -71.35 -37.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.257 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.26 -60.11 10.7 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.025 -179.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -53.71 18.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.95 177.54 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.836 179.663 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.422 HD22 ' CZ ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -81.46 5.82 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.113 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.65 -49.01 6.72 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -90.15 -21.28 22.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.912 -179.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -79.6 -36.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.466 0.174 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -56.03 37.94 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 121.323 -0.151 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' ILE . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.96 -44.28 96.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.32 124.33 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.837 -179.96 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' B' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' B' ' 1' ' ' PHE . 0.2 OUTLIER -81.17 5.89 15.53 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.66 -48.87 6.8 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 111.51 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -90.17 -21.31 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.854 -179.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 77.7 mt -79.53 -36.6 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.491 0.186 . . . . 0.0 111.285 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -55.95 38.64 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.453 HG22 HD11 ' B' ' 28' ' ' ILE . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.98 -44.3 96.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.36 124.49 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.895 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.15 -21.49 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.648 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.76 -57.45 10.12 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.455 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -87.5 -20.47 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 1' ' ' PHE . 71.6 mt -79.56 -33.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.278 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -56.25 37.93 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.49 -47.93 74.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -86.68 131.71 34.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.401 ' CD1' HD13 ' B' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.22 -21.54 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.544 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.87 -57.35 10.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -87.5 -20.53 26.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.401 HD13 ' CD1' ' B' ' 1' ' ' PHE . 71.3 mt -79.45 -33.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.518 0.199 . . . . 0.0 111.289 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.37 -56.22 38.16 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.719 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.505 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.415 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.61 -47.97 73.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -86.7 131.73 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.435 ' CD1' HD12 ' A' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -26.01 10.3 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.493 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -74.53 -29.07 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.199 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -91.68 -41.58 10.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.624 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HD12 ' CD1' ' A' ' 1' ' ' PHE . 3.6 mp -67.56 -31.01 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.355 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -61.93 7.0 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.02 -53.93 52.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -77.52 149.08 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.876 -179.988 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.434 ' CD1' HD12 ' B' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.608 0.242 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -25.95 10.02 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.488 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.61 -29.09 61.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -91.61 -41.62 10.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.616 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.434 HD12 ' CD1' ' B' ' 1' ' ' PHE . 3.6 mp -67.49 -31.23 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.209 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -62.12 6.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.5 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.78 -54.01 51.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -77.42 149.06 35.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.818 179.997 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.455 ' CZ ' ' CG2' ' B' ' 32' ' ' VAL . 32.1 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 mt -88.21 14.61 8.96 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.009 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.39 -58.74 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.775 0.322 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.26 -23.67 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.6 mt -72.56 -35.19 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 0.0 111.232 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -59.9 11.17 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.003 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.28 -50.26 54.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.38 131.63 51.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.939 179.898 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 32' ' ' VAL . 32.0 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.84 0.352 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.05 14.44 9.07 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.017 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.46 -58.66 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.735 0.303 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.32 -23.67 21.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.595 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -72.45 -35.21 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -59.82 11.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.952 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.454 ' CG ' ' CD2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' CG ' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.499 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.455 ' CG2' ' CZ ' ' A' ' 1' ' ' PHE . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.36 -50.22 54.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.39 131.68 51.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 5' ' ' ILE . 37.3 t80 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.767 0.318 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.58 18.13 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.33 -60.16 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.32 -26.31 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' A' ' 1' ' ' PHE . 51.5 mt -71.44 -36.16 59.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.229 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.94 -60.14 10.43 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 36' ' ' ILE . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.78 -44.94 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.75 123.01 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' B' ' 5' ' ' ILE . 37.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 mt -90.58 18.22 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.937 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.23 -60.13 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.42 -26.15 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' B' ' 1' ' ' PHE . 51.6 mt -71.47 -36.19 59.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.268 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.83 -60.22 10.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.504 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.93 -45.01 75.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 122.88 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.409 ' CE1' HD12 ' A' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.726 0.298 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -19.93 64.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.56 -179.892 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.58 -41.39 65.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.644 0.259 . . . . 0.0 111.37 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -26.98 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.592 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 HD12 ' CE1' ' A' ' 1' ' ' PHE . 64.1 mt -74.28 -30.69 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.76 -60.35 10.73 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.671 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' CB ' ' CG1' ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.41 -59.13 3.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -73.62 160.04 32.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.886 179.997 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' B' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -20.01 64.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.672 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.65 -41.39 65.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.618 0.246 . . . . 0.0 111.339 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -27.06 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.556 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.407 HD12 ' CE1' ' B' ' 1' ' ' PHE . 63.6 mt -74.28 -30.77 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.6 0.238 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.7 -60.43 10.43 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' CB ' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.54 -59.1 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.53 160.11 32.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.859 -179.99 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 5.1 mt-10 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.336 0.113 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 19' ' ' VAL . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 29' ' ' PRO . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.303 0.096 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.421 ' O ' HD23 ' B' ' 22' ' ' LEU . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.662 ' HG2' HG23 ' B' ' 32' ' ' VAL . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.499 ' O ' HG11 ' B' ' 19' ' ' VAL . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG2' ' B' ' 29' ' ' PRO . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.703 ' HA ' HG22 ' B' ' 19' ' ' VAL . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.285 0.088 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.975 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.975 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.354 0.121 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.4 mt-10 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.941 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.941 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.4 mt-10 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.449 0.166 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.359 0.123 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.881 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.415 0.15 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.333 0.111 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.851 -0.055 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.987 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.987 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.0 mm-40 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.45 0.167 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' HG23 ' A' ' 32' ' ' VAL . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 29' ' ' PRO . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.892 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 2.0 mm-40 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.368 0.128 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HG2' HG23 ' B' ' 32' ' ' VAL . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' B' ' 29' ' ' PRO . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.873 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.447 0.165 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.45 0.167 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.871 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.264 0.078 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 33' ' ' ALA . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 36' ' ' ILE . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.769 ' HG2' HG23 ' A' ' 32' ' ' VAL . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG23 ' HG2' ' A' ' 29' ' ' PRO . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' A' ' 22' ' ' LEU . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.413 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.225 0.06 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.963 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 36' ' ' ILE . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.774 ' HG2' HG23 ' B' ' 32' ' ' VAL . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' B' ' 29' ' ' PRO . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.963 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 22' ' ' LEU . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.5 mt-10 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.6 mt-10 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.345 0.117 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' B' ' 22' ' ' LEU . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mt-10 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.737 ' HG2' HG23 ' A' ' 32' ' ' VAL . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' HG2' ' A' ' 29' ' ' PRO . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.832 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.561 0.22 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.797 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.733 ' HG2' HG23 ' B' ' 32' ' ' VAL . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.733 HG23 ' HG2' ' B' ' 29' ' ' PRO . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.797 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.479 0.18 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 18' ' ' ASN . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.399 0.142 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.596 ' O ' HD12 ' B' ' 22' ' ' LEU . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 18' ' ' ASN . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.984 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 9.5 mm-40 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.299 0.095 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.917 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 8' ' ' ALA . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 22' ' ' LEU . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 9.4 mm-40 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.29 0.091 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.894 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' B' ' 22' ' ' LEU . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.894 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.247 0.07 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HG2' HG23 ' A' ' 32' ' ' VAL . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 29' ' ' PRO . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.885 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.413 0.149 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.897 HG13 ' HB3' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' B' ' 32' ' ' VAL . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' B' ' 29' ' ' PRO . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.897 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 3.2 mm-40 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.389 0.138 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.868 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.868 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 3.2 mm-40 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.746 -0.094 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' B' ' 33' ' ' ALA . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' B' ' 17' ' ' SER . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.297 0.094 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.042 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 1.042 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 120.331 0.11 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 1.015 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 1.015 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' HD23 ' A' ' 22' ' ' LEU . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.867 HG13 ' CB ' ' A' ' 33' ' ' ALA . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.867 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.387 0.137 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.412 ' O ' HD23 ' B' ' 22' ' ' LEU . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.87 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.264 0.078 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.971 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.971 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.206 0.05 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.449 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.442 ' HB3' HD22 ' A' ' 22' ' ' LEU . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' HD23 ' A' ' 22' ' ' LEU . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.922 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 17' ' ' SER . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.922 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB3' HD22 ' B' ' 22' ' ' LEU . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' B' ' 17' ' ' SER . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.379 0.133 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.834 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.834 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.822 HG13 ' CB ' ' B' ' 33' ' ' ALA . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.822 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.906 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.906 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.456 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.924 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.924 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.373 0.13 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 120.262 0.077 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.944 HG13 ' HB3' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.546 0.212 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.863 HG13 ' HB3' ' A' ' 33' ' ' ALA . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 22' ' ' LEU . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HG2' HG23 ' A' ' 32' ' ' VAL . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' HG2' ' A' ' 29' ' ' PRO . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.863 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.427 0.156 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.406 ' O ' HD23 ' B' ' 22' ' ' LEU . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.864 HG13 ' HB3' ' B' ' 33' ' ' ALA . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 22' ' ' LEU . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' B' ' 32' ' ' VAL . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' B' ' 29' ' ' PRO . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.864 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.935 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.935 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.946 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.1 mt-10 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.887 HG13 ' HB3' ' A' ' 33' ' ' ALA . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 28' ' ' ILE . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 22' ' ' LEU . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.887 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.1 mt-10 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' B' ' 22' ' ' LEU . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' B' ' 33' ' ' ALA . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.45 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' B' ' 22' ' ' LEU . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.405 0.145 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.988 HG13 ' HB3' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.988 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' B' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 1.041 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.196 0.046 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 36' ' ' ILE . 2.6 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.981 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.981 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 9' ' ' GLN . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.7 mt-10 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.308 0.099 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' B' ' 36' ' ' ILE . 2.5 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.991 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.991 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' B' ' 9' ' ' GLN . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.378 0.132 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.48 0.181 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.962 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 31' ' ' LEU . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.962 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.414 0.15 . . . . 0.0 110.863 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.915 HG13 ' HB3' ' A' ' 33' ' ' ALA . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.915 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.92 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.92 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.956 HG13 ' HB3' ' A' ' 33' ' ' ALA . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.956 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.961 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.961 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.307 0.099 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' HD12 ' A' ' 36' ' ' ILE . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.952 HG13 ' HB3' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 9' ' ' GLN . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 120.306 0.098 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.945 HG13 ' HB3' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.945 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.375 0.131 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.905 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.905 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.9 mt-10 . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.373 0.13 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 120.439 0.161 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG13 ' HB3' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.953 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.965 HG13 ' HB3' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.965 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.528 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.716 0.293 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.25 15.53 7.49 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.08 -61.73 1.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -89.14 -23.56 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.575 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.1 mt -73.23 -36.55 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.526 0.203 . . . . 0.0 111.193 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 5.1 mt-10 -56.5 -59.24 12.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.882 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 19' ' ' VAL . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 29' ' ' PRO . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -56.64 -49.11 75.98 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.36 133.6 39.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.769 0.318 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.31 15.51 7.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.09 -61.74 1.82 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -89.02 -23.63 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.664 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.513 HD12 ' O ' ' B' ' 1' ' ' PHE . 51.3 mt -73.21 -36.69 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 111.257 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.33 -59.3 12.39 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.421 ' O ' HD23 ' B' ' 22' ' ' LEU . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.662 ' HG2' HG23 ' B' ' 32' ' ' VAL . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.499 ' O ' HG11 ' B' ' 19' ' ' VAL . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG2' ' B' ' 29' ' ' PRO . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.703 ' HA ' HG22 ' B' ' 19' ' ' VAL . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.42 133.63 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' B' ' 31' ' ' LEU . 11.7 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.9 mm? -90.21 17.53 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -90.13 -54.04 4.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -90.3 -27.84 19.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.4 mt -72.96 -37.49 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.234 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.89 -59.29 12.02 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.975 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' B' ' 1' ' ' PHE . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.975 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -76.53 -69.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.08 113.34 14.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.988 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 31' ' ' LEU . 11.5 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.804 0.335 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 2' ' ' LEU . 4.0 mm? -90.21 17.58 6.92 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.063 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -90.16 -54.03 4.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.995 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -90.11 -27.84 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.448 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.6 mt -73.21 -37.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.18 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.9 -59.39 11.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.069 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.484 HD23 ' CE2' ' A' ' 1' ' ' PHE . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -76.29 -69.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -76.77 113.39 14.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.823 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 42.9 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.888 0.375 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.9 -20.65 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.374 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.29 -41.09 73.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.514 0.197 . . . . 0.0 111.428 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -90.82 -22.68 20.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.645 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 34.6 mt -82.82 -34.5 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.472 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.4 mt-10 -58.98 -53.97 61.17 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.941 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.941 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -63.09 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.13 153.46 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.813 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.486 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.1 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.782 0.325 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.07 -20.42 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.423 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.34 -41.12 73.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.618 0.247 . . . . 0.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -90.82 -22.7 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.637 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 1' ' ' PHE . 35.0 mt -82.67 -34.62 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.4 mt-10 -58.93 -53.87 62.17 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 1' ' ' PHE . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -63.38 -42.66 98.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.19 153.41 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.151 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.811 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' A' ' 5' ' ' ILE . 31.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.63 17.77 7.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.61 -60.13 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -22.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.673 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 1' ' ' PHE . 49.6 mt -75.08 -37.2 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.669 0.271 . . . . 0.0 111.286 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -58.14 16.57 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.978 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.881 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.87 -41.88 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -91.48 23.59 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.206 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.992 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' B' ' 5' ' ' ILE . 31.2 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.878 0.371 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.62 17.73 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.934 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.59 -60.26 2.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -22.76 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.71 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' B' ' 1' ' ' PHE . 49.7 mt -74.92 -37.32 41.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.615 0.245 . . . . 0.0 111.294 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -58.11 16.8 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.024 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.81 -42.1 88.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -91.49 23.68 3.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.196 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.002 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.63 -14.43 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.22 -66.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.62 0.248 . . . . 0.0 111.577 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -25.57 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 1' ' ' PHE . 67.1 mt -70.16 -32.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.676 0.274 . . . . 0.0 111.252 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.7 mt-10 -58.64 -61.14 8.27 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.26 -40.23 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.68 107.51 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.799 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.487 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.6 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.63 -14.56 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.816 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.94 -66.65 0.36 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 111.704 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -25.47 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.487 HD12 ' O ' ' B' ' 1' ' ' PHE . 68.1 mt -70.29 -32.64 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.602 0.239 . . . . 0.0 111.175 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.7 mt-10 -58.69 -61.14 8.3 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.987 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.987 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.24 -40.14 89.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.74 107.48 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.817 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 5' ' ' ILE . 23.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.35 -23.93 67.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.344 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.03 -53.19 56.41 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -89.62 -21.36 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 1' ' ' PHE . 77.6 mt -79.42 -32.34 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.302 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.0 mm-40 -60.89 -56.08 38.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.69 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' HG23 ' A' ' 32' ' ' VAL . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' B' ' 1' ' ' PHE . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 29' ' ' PRO . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.892 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.53 -53.88 48.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.67 145.53 27.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' B' ' 5' ' ' ILE . 23.3 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.631 0.253 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.43 -23.89 67.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.374 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.92 -53.46 52.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -89.45 -21.26 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.955 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' B' ' 1' ' ' PHE . 77.5 mt -79.52 -32.32 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.509 0.195 . . . . 0.0 111.357 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 2.0 mm-40 -60.83 -56.12 38.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HG2' HG23 ' B' ' 32' ' ' VAL . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' B' ' 29' ' ' PRO . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.873 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.59 -53.72 50.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -85.72 145.55 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.913 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 25.1 t80 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.776 0.322 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.3 -13.1 62.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.772 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.9 -37.63 18.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -90.94 -23.97 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 1' ' ' PHE . 26.8 mt -82.7 -36.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.559 0.219 . . . . 0.0 111.407 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -54.67 50.39 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.35 -55.79 27.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -168.51 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 mttp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.817 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' O ' HD12 ' B' ' 5' ' ' ILE . 25.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.32 -13.1 62.03 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.838 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.88 -37.53 19.04 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -90.93 -24.15 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.462 HD12 ' O ' ' B' ' 1' ' ' PHE . 26.1 mt -82.39 -36.63 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.509 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -54.6 51.41 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.871 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.28 -55.64 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.33 -168.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mttp . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' O ' HD12 ' A' ' 5' ' ' ILE . 45.1 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.75 0.31 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -89.43 16.27 7.85 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.973 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.4 -59.42 2.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -83.77 -28.1 28.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.327 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 1' ' ' PHE . 63.6 mt -68.28 -33.4 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -57.77 -62.12 6.03 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 33' ' ' ALA . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 36' ' ' ILE . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.769 ' HG2' HG23 ' A' ' 32' ' ' VAL . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG23 ' HG2' ' A' ' 29' ' ' PRO . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' A' ' 22' ' ' LEU . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.71 -42.07 82.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -84.93 116.33 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.96 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.519 ' O ' HD12 ' B' ' 5' ' ' ILE . 44.7 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 2' ' ' LEU . 0.2 OUTLIER -89.21 16.31 7.51 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.36 -59.46 2.18 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -83.84 -28.09 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.519 HD12 ' O ' ' B' ' 1' ' ' PHE . 63.9 mt -68.24 -33.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.413 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER -57.8 -62.22 5.84 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.963 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 36' ' ' ILE . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.774 ' HG2' HG23 ' B' ' 32' ' ' VAL . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' B' ' 29' ' ' PRO . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.963 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 22' ' ' LEU . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.69 -42.12 82.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -84.81 116.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.968 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.878 0.371 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.3 mm? -65.29 -23.06 66.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.406 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -72.94 -38.12 66.92 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.2 -25.47 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.5 mt -81.45 -39.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.5 mt-10 -56.65 -53.19 67.23 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.221 -0.191 . . . . 0.0 111.231 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -62.15 -62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.23 127.11 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.817 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.3 mm? -65.44 -23.11 66.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.399 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.87 -38.15 67.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.13 -25.49 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 47.9 mt -81.58 -39.0 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.6 mt-10 -56.64 -53.19 67.17 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.251 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' B' ' 22' ' ' LEU . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -62.26 -62.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.06 127.18 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.761 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.495 ' O ' HD12 ' A' ' 5' ' ' ILE . 34.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.775 0.322 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.71 -9.22 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -61.32 2.18 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.687 0.279 . . . . 0.0 111.419 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.1 -11.52 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 1' ' ' PHE . 74.1 mt -87.69 -32.52 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mt-10 -59.11 -52.75 72.44 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.737 ' HG2' HG23 ' A' ' 32' ' ' VAL . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' HG2' ' A' ' 29' ' ' PRO . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.832 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.95 -38.65 89.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.45 141.57 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.489 ' O ' HD12 ' B' ' 5' ' ' ILE . 33.9 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.787 0.327 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.8 -9.03 56.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 -61.27 2.19 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.29 . . . . 0.0 111.49 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.08 -11.59 54.93 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.489 HD12 ' O ' ' B' ' 1' ' ' PHE . 73.6 mt -87.65 -32.53 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.187 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.15 -52.76 72.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.797 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.733 ' HG2' HG23 ' B' ' 32' ' ' VAL . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.733 HG23 ' HG2' ' B' ' 29' ' ' PRO . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.797 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.79 -38.69 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.58 141.61 29.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 5' ' ' ILE . 34.9 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.8 mt -90.3 15.99 9.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.051 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -90.59 -53.91 4.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.889 0.376 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -89.99 -23.03 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.593 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 1' ' ' PHE . 60.7 mt -77.92 -37.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.582 0.229 . . . . 0.0 111.191 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -57.25 24.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 18' ' ' ASN . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.44 -50.91 71.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -67.34 -177.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.901 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 5' ' ' ILE . 35.0 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.7 mt -90.31 16.03 9.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.097 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.66 -53.9 4.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.759 0.314 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -90.13 -22.75 21.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 1' ' ' PHE . 60.6 mt -77.94 -37.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.791 0.329 . . . . 0.0 111.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -57.21 23.86 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.143 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.596 ' O ' HD12 ' B' ' 22' ' ' LEU . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 18' ' ' ASN . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.433 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.984 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.2 -51.04 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -67.34 -177.76 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.919 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' A' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.0 mt -90.42 17.99 6.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -84.74 -59.38 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -90.12 -27.18 19.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 1' ' ' PHE . 57.1 mt -70.98 -35.46 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 9.5 mm-40 -56.67 -60.68 8.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.917 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 8' ' ' ALA . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 22' ' ' LEU . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' B' ' 1' ' ' PHE . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.78 -55.35 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.8 147.64 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.827 0.346 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -90.45 18.15 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -84.78 -59.39 2.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -90.12 -27.28 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.48 HD12 ' O ' ' B' ' 1' ' ' PHE . 57.0 mt -71.0 -35.47 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 9.4 mm-40 -56.72 -60.62 8.8 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.894 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' B' ' 22' ' ' LEU . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.894 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.87 -55.41 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.73 147.64 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.56 ' HE2' HD23 ' B' ' 31' ' ' LEU . 8.0 t80 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.662 0.268 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.09 14.16 8.06 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.21 -55.96 3.91 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.918 0.39 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -90.06 -24.57 21.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 1' ' ' PHE . 65.2 mt -73.07 -34.81 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.568 0.223 . . . . 0.0 111.325 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -59.23 14.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HG2' HG23 ' A' ' 32' ' ' VAL . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.527 HD23 ' HE2' ' B' ' 1' ' ' PHE . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 29' ' ' PRO . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.885 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.84 -42.24 99.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.04 160.64 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.527 ' HE2' HD23 ' A' ' 31' ' ' LEU . 8.1 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.59 0.233 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.32 14.1 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.36 -55.81 3.97 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.819 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -90.11 -24.69 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.446 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.447 HD12 ' O ' ' B' ' 1' ' ' PHE . 64.9 mt -72.92 -34.91 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -59.16 14.72 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.931 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.897 HG13 ' HB3' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' B' ' 32' ' ' VAL . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.56 HD23 ' HE2' ' A' ' 1' ' ' PHE . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' B' ' 29' ' ' PRO . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.897 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.83 -42.39 99.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -81.92 160.71 23.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.832 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 5' ' ' ILE . 7.7 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.793 0.33 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.39 -26.97 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.254 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.52 -46.2 80.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.6 -25.58 20.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.806 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 1' ' ' PHE . 63.8 mt -77.33 -34.21 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 3.2 mm-40 -59.92 -56.77 32.28 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.656 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.868 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 ' HE2' ' B' ' 1' ' ' PHE . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.868 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -55.08 39.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.39 130.08 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 31' ' ' LEU . 7.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.71 0.29 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.8 mm? -68.32 -26.71 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.74 -46.27 81.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.27 . . . . 0.0 111.669 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.43 -25.63 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.804 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.454 ' CD1' ' CD2' ' B' ' 1' ' ' PHE . 63.8 mt -77.46 -34.15 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.513 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 3.2 mm-40 -59.92 -56.68 33.16 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' B' ' 33' ' ' ALA . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' B' ' 17' ' ' SER . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -55.06 39.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.44 130.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.491 ' O ' HD12 ' A' ' 5' ' ' ILE . 52.9 t80 . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.17 14.39 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.856 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.43 -52.8 4.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.192 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.11 -25.6 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.857 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 1' ' ' PHE . 54.5 mt -75.49 -41.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -56.87 24.95 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.047 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.042 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' B' ' 1' ' ' PHE . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG11 HG12 ' A' ' 5' ' ' ILE . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 1.042 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.73 85.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.41 147.32 36.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.84 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.479 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.916 0.388 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt -90.13 14.43 12.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.902 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.51 -52.74 4.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.23 -25.5 19.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.858 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.479 HD12 ' O ' ' B' ' 1' ' ' PHE . 54.3 mt -75.48 -41.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.526 0.203 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -56.81 25.31 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.126 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 1.015 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 5' ' ' ILE . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 1.015 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.81 84.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.39 147.34 36.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.799 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.616 ' O ' HD12 ' A' ' 5' ' ' ILE . 31.8 t80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.035 0.445 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.96 19.54 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.985 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.02 -65.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.683 0.278 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -83.75 -22.09 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 1' ' ' PHE . 67.4 mt -74.74 -34.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.62 0.248 . . . . 0.0 110.986 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.43 -59.44 12.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' HD23 ' A' ' 22' ' ' LEU . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.867 HG13 ' CB ' ' A' ' 33' ' ' ALA . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.867 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.67 -38.77 77.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.66 -178.54 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.997 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.021 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' B' ' 5' ' ' ILE . 31.7 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.83 19.2 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.74 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 111.289 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -83.58 -22.21 32.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.667 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.7 mt -74.74 -33.92 32.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.544 0.212 . . . . 0.0 111.058 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -56.74 -59.38 12.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.782 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.412 ' O ' HD23 ' B' ' 22' ' ' LEU . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.402 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.87 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.73 -38.69 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -78.75 -178.61 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.647 ' C ' HD12 ' A' ' 5' ' ' ILE . 64.9 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.353 0.121 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.604 ' H ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -61.86 -18.53 60.44 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.61 -51.81 68.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.2 -28.87 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.343 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 1' ' ' PHE . 26.7 mt -67.96 -34.98 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.134 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.4 mt-10 -58.93 -61.6 7.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.971 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 5' ' ' ILE . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.971 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -53.48 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.39 152.28 36.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.96 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.661 ' C ' HD12 ' B' ' 5' ' ' ILE . 65.0 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.466 0.174 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.616 HD13 ' H ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -62.02 -18.2 59.78 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -58.77 -51.81 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.185 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.03 -29.08 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.35 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.661 HD12 ' C ' ' B' ' 1' ' ' PHE . 26.6 mt -67.99 -34.88 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.189 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 2.4 mt-10 -59.07 -61.51 7.68 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.449 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 5' ' ' ILE . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -53.66 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.36 152.22 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.937 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 5' ' ' ILE . 4.8 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.924 0.392 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.06 17.7 6.63 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.8 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.14 -62.91 1.36 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 111.596 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -85.62 -25.33 26.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' CD1' ' A' ' 1' ' ' PHE . 42.5 mt -70.35 -37.47 70.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.574 0.226 . . . . 0.0 111.506 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -59.38 12.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.315 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' HB3' HD22 ' A' ' 22' ' ' LEU . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' HD23 ' A' ' 22' ' ' LEU . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.922 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 17' ' ' SER . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.922 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.28 -38.84 88.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.55 24.09 3.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.73 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CD1' HD12 ' B' ' 5' ' ' ILE . 4.8 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.924 0.393 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.15 17.77 6.65 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.768 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.2 -63.08 1.33 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.669 0.271 . . . . 0.0 111.555 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -85.53 -25.17 26.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.897 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.513 HD12 ' CD1' ' B' ' 1' ' ' PHE . 43.1 mt -70.64 -37.44 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -59.52 11.55 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.333 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB3' HD22 ' B' ' 22' ' ' LEU . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' B' ' 17' ' ' SER . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.11 -38.9 87.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.64 24.14 3.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.973 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.802 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' O ' HD12 ' A' ' 5' ' ' ILE . 79.8 t80 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.935 0.398 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.13 17.29 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.66 -59.9 2.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.76 -24.0 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.54 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 1' ' ' PHE . 53.7 mt -74.15 -36.05 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.589 0.233 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.98 -58.89 12.49 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.965 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.834 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.834 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.07 -42.7 91.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.57 162.9 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.871 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.531 ' O ' HD12 ' B' ' 5' ' ' ILE . 80.1 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.15 17.42 7.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -87.68 -59.84 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.88 -23.92 23.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.542 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.6 mt -74.19 -36.22 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.584 0.231 . . . . 0.0 111.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.66 -58.92 11.98 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.822 HG13 ' CB ' ' B' ' 33' ' ' ALA . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.822 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.94 -42.84 90.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.56 162.99 14.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.92 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.712 0.292 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' CD2' HD22 ' B' ' 31' ' ' LEU . 81.0 mt -65.66 -18.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.619 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.84 -59.92 4.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -82.56 -20.84 35.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.2 mt -76.31 -30.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.581 0.229 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.02 -58.88 16.13 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.906 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' B' ' 2' ' ' LEU . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.906 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -65.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -68.59 168.72 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.9 mttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.83 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 31' ' ' LEU . 79.9 mt -65.57 -18.45 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.741 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -59.9 4.71 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -82.51 -20.81 36.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.34 -30.99 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.545 0.212 . . . . 0.0 111.044 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 -60.02 -58.93 15.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.523 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.456 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.924 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 2' ' ' LEU . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.924 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -65.27 0.7 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -68.59 168.84 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.858 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.663 ' C ' HD12 ' A' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.467 0.175 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -59.22 -28.77 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.094 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.17 -45.29 93.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -90.4 -22.85 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.923 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 1' ' ' PHE . 18.4 mt -77.65 -34.49 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.606 0.241 . . . . 0.0 111.394 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.24 -57.27 27.85 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.888 -179.921 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG23 ' CZ ' ' B' ' 1' ' ' PHE . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.08 -52.32 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -84.68 141.86 30.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.947 179.897 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.667 ' C ' HD12 ' B' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.425 0.155 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' B' ' 1' ' ' PHE . 0.3 OUTLIER -59.45 -28.57 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -60.3 -45.4 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -90.23 -22.89 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.667 HD12 ' C ' ' B' ' 1' ' ' PHE . 18.4 mt -77.77 -34.41 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.561 0.22 . . . . 0.0 111.289 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER -60.4 -57.27 27.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.866 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.944 HG13 ' HB3' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 1' ' ' PHE . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.99 -52.42 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -84.59 141.78 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.672 ' HE2' HD23 ' B' ' 31' ' ' LEU . 16.0 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.741 0.305 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.83 13.33 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.863 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.48 -53.59 4.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -89.52 -16.82 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.803 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 1' ' ' PHE . 70.2 mt -86.01 -35.53 9.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 111.105 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.62 -52.97 67.6 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.863 HG13 ' HB3' ' A' ' 33' ' ' ALA . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 22' ' ' LEU . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HG2' HG23 ' A' ' 32' ' ' VAL . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' B' ' 1' ' ' PHE . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' HG2' ' A' ' 29' ' ' PRO . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.863 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.55 -50.41 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.17 -174.4 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.13 179.789 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.669 ' HE2' HD23 ' A' ' 31' ' ' LEU . 15.8 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.76 13.26 12.86 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.797 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.39 -53.53 4.4 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.715 0.293 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -89.63 -16.75 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.784 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.567 HD12 ' O ' ' B' ' 1' ' ' PHE . 70.5 mt -86.12 -35.37 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.84 -52.9 68.56 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.406 ' O ' HD23 ' B' ' 22' ' ' LEU . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.864 HG13 ' HB3' ' B' ' 33' ' ' ALA . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 22' ' ' LEU . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' B' ' 32' ' ' VAL . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.672 HD23 ' HE2' ' A' ' 1' ' ' PHE . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' B' ' 29' ' ' PRO . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.864 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.53 -50.38 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.2 -174.39 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.058 179.768 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 5' ' ' ILE . 9.8 t80 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.5 mm? -65.77 -23.9 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -57.35 -47.18 82.27 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.276 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -89.9 -30.08 18.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 1' ' ' PHE . 63.9 mt -70.01 -32.01 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.5 mt-10 -60.07 -62.0 6.79 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.935 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.935 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.76 -53.79 41.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.41 115.72 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.848 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 5' ' ' ILE . 9.7 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.5 mm? -65.8 -23.72 66.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -57.62 -46.99 83.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.0 111.308 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.02 -30.0 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' B' ' 1' ' ' PHE . 63.8 mt -70.14 -31.87 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.5 mt-10 -60.07 -61.93 6.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.946 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.66 -53.8 41.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.52 115.73 26.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.677 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.733 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' HE2' HD23 ' B' ' 31' ' ' LEU . 24.6 t80 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.33 -22.59 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.635 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.11 -45.78 90.0 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -90.42 -27.74 19.09 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 1' ' ' PHE . 2.8 mp -76.57 -27.04 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.874 -0.148 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.1 mt-10 -63.34 -58.99 13.23 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.409 179.659 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.887 HG13 ' HB3' ' A' ' 33' ' ' ALA . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 28' ' ' ILE . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 22' ' ' LEU . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.887 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -39.22 88.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.97 154.64 31.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.871 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.433 ' O ' HD13 ' B' ' 5' ' ' ILE . 24.4 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.554 0.216 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.31 -22.52 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.11 -46.01 89.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -90.27 -27.74 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.433 HD13 ' O ' ' B' ' 1' ' ' PHE . 2.7 mp -76.6 -26.92 16.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.797 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.1 mt-10 -63.44 -58.89 13.55 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.375 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' B' ' 22' ' ' LEU . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' B' ' 33' ' ' ALA . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.45 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' B' ' 22' ' ' LEU . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 1' ' ' PHE . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -39.25 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.95 154.76 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.784 179.906 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.644 ' HE2' HD23 ' B' ' 31' ' ' LEU . 13.1 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.89 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.101 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.87 -57.7 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.728 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -87.83 -24.56 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 1' ' ' PHE . 55.9 mt -74.95 -35.12 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.171 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -58.54 16.55 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.988 HG13 ' HB3' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD23 ' HE2' ' B' ' 1' ' ' PHE . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.988 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -81.41 155.28 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.618 ' HE2' HD23 ' A' ' 31' ' ' LEU . 13.3 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.951 0.405 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.81 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.104 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.69 -57.75 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.944 0.402 . . . . 0.0 110.716 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -87.96 -24.55 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.093 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.519 HD12 ' O ' ' B' ' 1' ' ' PHE . 55.8 mt -74.78 -35.42 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.119 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -58.47 16.8 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' B' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.644 HD23 ' HE2' ' A' ' 1' ' ' PHE . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 1.041 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.83 -65.05 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -81.42 155.3 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.809 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 5' ' ' ILE . 69.6 t80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -90.16 17.52 6.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.87 -58.04 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -90.16 -26.5 20.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.2 mt -71.36 -37.07 63.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 -57.15 -60.24 10.23 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.985 -179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 36' ' ' ILE . 6.1 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.981 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.981 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 9' ' ' GLN . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -53.79 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.86 177.48 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.766 179.728 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 69.8 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.646 0.26 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -90.32 17.55 7.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.74 -58.17 2.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 110.952 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -90.12 -26.46 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.389 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.514 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.2 mt -71.35 -37.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.257 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.7 mt-10 -57.26 -60.11 10.7 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.025 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' B' ' 36' ' ' ILE . 6.1 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.991 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.991 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' B' ' 9' ' ' GLN . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -53.71 18.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.95 177.54 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.836 179.663 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.803 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.803 HD23 ' CZ ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -81.46 5.82 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.113 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.65 -49.01 6.72 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -90.15 -21.28 22.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.912 -179.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 1' ' ' PHE . 78.0 mt -79.6 -36.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.466 0.174 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -56.03 37.94 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 121.323 -0.151 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 31' ' ' LEU . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.96 -44.28 96.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.32 124.33 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.837 -179.96 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.804 ' CZ ' HD23 ' B' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.804 HD23 ' CZ ' ' B' ' 1' ' ' PHE . 0.2 OUTLIER -81.17 5.89 15.53 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.66 -48.87 6.8 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 111.51 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -90.17 -21.31 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.854 -179.335 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.508 HD12 ' O ' ' B' ' 1' ' ' PHE . 77.7 mt -79.53 -36.6 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.491 0.186 . . . . 0.0 111.285 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -55.95 38.64 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.962 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.49 HD23 ' C ' ' B' ' 31' ' ' LEU . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.962 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.98 -44.3 96.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.36 124.49 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.895 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.495 ' O ' HD12 ' A' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.15 -21.49 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.648 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.76 -57.45 10.12 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.455 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -87.5 -20.47 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 1' ' ' PHE . 71.6 mt -79.56 -33.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.278 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.29 -56.25 37.93 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.863 179.867 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.915 HG13 ' HB3' ' A' ' 33' ' ' ALA . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.915 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.49 -47.93 74.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -86.68 131.71 34.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' B' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.22 -21.54 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.544 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.87 -57.35 10.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -87.5 -20.53 26.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' B' ' 1' ' ' PHE . 71.3 mt -79.45 -33.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.518 0.199 . . . . 0.0 111.289 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 0.7 OUTLIER -59.37 -56.22 38.16 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.719 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.92 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.92 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.61 -47.97 73.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -86.7 131.73 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' CD1' ' CD1' ' A' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -26.01 10.3 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.493 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -74.53 -29.07 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.199 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -91.68 -41.58 10.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.624 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.428 ' CD1' ' CD1' ' A' ' 1' ' ' PHE . 3.6 mp -67.56 -31.01 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.355 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -61.08 -61.93 7.0 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.538 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.956 HG13 ' HB3' ' A' ' 33' ' ' ALA . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.956 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.02 -53.93 52.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -77.52 149.08 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.876 -179.988 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.426 ' CD1' ' CD1' ' B' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.608 0.242 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -25.95 10.02 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.488 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.61 -29.09 61.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -91.61 -41.62 10.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.616 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.426 ' CD1' ' CD1' ' B' ' 1' ' ' PHE . 3.6 mp -67.49 -31.23 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.209 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.3 OUTLIER -60.84 -62.12 6.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.553 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.961 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.961 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.78 -54.01 51.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -77.42 149.06 35.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.818 179.997 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.776 ' CZ ' HG22 ' B' ' 32' ' ' VAL . 32.1 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 mt -88.21 14.61 8.96 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.009 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.39 -58.74 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.775 0.322 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.26 -23.67 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 1' ' ' PHE . 60.6 mt -72.56 -35.19 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 0.0 111.232 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -59.9 11.17 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.003 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' HD12 ' A' ' 36' ' ' ILE . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.952 HG13 ' HB3' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 9' ' ' GLN . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.28 -50.26 54.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.38 131.63 51.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.939 179.898 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 32' ' ' VAL . 32.0 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.84 0.352 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.05 14.44 9.07 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.017 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.46 -58.66 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.735 0.303 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.32 -23.67 21.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.595 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.511 HD12 ' O ' ' B' ' 1' ' ' PHE . 60.2 mt -72.45 -35.21 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -59.82 11.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.952 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.945 HG13 ' HB3' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.776 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.945 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.36 -50.22 54.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.39 131.68 51.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 5' ' ' ILE . 37.3 t80 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.767 0.318 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.58 18.13 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.33 -60.16 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.32 -26.31 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 1' ' ' PHE . 51.5 mt -71.44 -36.16 59.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.229 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 -56.94 -60.14 10.43 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.905 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.905 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.78 -44.94 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.75 123.01 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' B' ' 5' ' ' ILE . 37.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 mt -90.58 18.22 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.937 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.23 -60.13 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.42 -26.15 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.557 HD12 ' CD1' ' B' ' 1' ' ' PHE . 51.6 mt -71.47 -36.19 59.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.268 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.9 mt-10 -56.83 -60.22 10.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.93 -45.01 75.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 122.88 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.726 0.298 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -19.93 64.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.56 -179.892 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.58 -41.39 65.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.644 0.259 . . . . 0.0 111.37 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -26.98 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.592 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 1' ' ' PHE . 64.1 mt -74.28 -30.69 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 -58.76 -60.35 10.73 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.671 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG13 ' HB3' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.953 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -59.13 3.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -73.62 160.04 32.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.886 179.997 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' B' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -20.01 64.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.672 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.65 -41.39 65.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.618 0.246 . . . . 0.0 111.339 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -27.06 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.556 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' B' ' 1' ' ' PHE . 63.6 mt -74.28 -30.77 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.6 0.238 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 -58.7 -60.43 10.43 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.592 179.679 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.965 HG13 ' HB3' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.965 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.54 -59.1 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.53 160.11 32.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.859 -179.99 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 5.1 mt-10 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.336 0.113 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 19' ' ' VAL . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 29' ' ' PRO . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.303 0.096 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.421 ' O ' HD23 ' B' ' 22' ' ' LEU . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.662 ' HG2' HG23 ' B' ' 32' ' ' VAL . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.499 ' O ' HG11 ' B' ' 19' ' ' VAL . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG2' ' B' ' 29' ' ' PRO . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.703 ' HA ' HG22 ' B' ' 19' ' ' VAL . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.285 0.088 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.975 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.975 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.354 0.121 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.4 mt-10 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.941 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.941 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.4 mt-10 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.449 0.166 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.359 0.123 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.881 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.415 0.15 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.333 0.111 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.7 mt-10 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.851 -0.055 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.987 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.987 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.0 mm-40 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.45 0.167 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' HG23 ' A' ' 32' ' ' VAL . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 29' ' ' PRO . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.892 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 2.0 mm-40 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.368 0.128 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HG2' HG23 ' B' ' 32' ' ' VAL . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' B' ' 29' ' ' PRO . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.873 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.447 0.165 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.45 0.167 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.871 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.264 0.078 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 33' ' ' ALA . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 36' ' ' ILE . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.769 ' HG2' HG23 ' A' ' 32' ' ' VAL . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG23 ' HG2' ' A' ' 29' ' ' PRO . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' A' ' 22' ' ' LEU . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.413 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.225 0.06 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.963 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 36' ' ' ILE . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.774 ' HG2' HG23 ' B' ' 32' ' ' VAL . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' B' ' 29' ' ' PRO . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.963 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 22' ' ' LEU . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.5 mt-10 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.6 mt-10 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.345 0.117 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' B' ' 22' ' ' LEU . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mt-10 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.737 ' HG2' HG23 ' A' ' 32' ' ' VAL . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' HG2' ' A' ' 29' ' ' PRO . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.832 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.561 0.22 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.797 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.733 ' HG2' HG23 ' B' ' 32' ' ' VAL . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.733 HG23 ' HG2' ' B' ' 29' ' ' PRO . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.797 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.479 0.18 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 18' ' ' ASN . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.399 0.142 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.596 ' O ' HD12 ' B' ' 22' ' ' LEU . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 18' ' ' ASN . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.984 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 9.5 mm-40 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.299 0.095 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.917 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 8' ' ' ALA . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 22' ' ' LEU . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 9.4 mm-40 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.29 0.091 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.894 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' B' ' 22' ' ' LEU . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.894 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.247 0.07 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HG2' HG23 ' A' ' 32' ' ' VAL . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 29' ' ' PRO . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.885 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.413 0.149 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.897 HG13 ' HB3' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' B' ' 32' ' ' VAL . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' B' ' 29' ' ' PRO . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.897 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 3.2 mm-40 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.389 0.138 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.868 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.868 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 3.2 mm-40 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.746 -0.094 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' B' ' 33' ' ' ALA . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' B' ' 17' ' ' SER . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.297 0.094 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.042 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 1.042 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 120.331 0.11 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 1.015 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 1.015 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' HD23 ' A' ' 22' ' ' LEU . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.867 HG13 ' CB ' ' A' ' 33' ' ' ALA . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.867 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.387 0.137 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.412 ' O ' HD23 ' B' ' 22' ' ' LEU . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.87 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.264 0.078 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.971 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.971 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 2.4 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.206 0.05 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.449 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.442 ' HB3' HD22 ' A' ' 22' ' ' LEU . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' HD23 ' A' ' 22' ' ' LEU . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.922 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 17' ' ' SER . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.922 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB3' HD22 ' B' ' 22' ' ' LEU . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' B' ' 17' ' ' SER . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.379 0.133 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.834 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.834 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.822 HG13 ' CB ' ' B' ' 33' ' ' ALA . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.822 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.906 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.906 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.456 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.924 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.924 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.373 0.13 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 120.262 0.077 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.944 HG13 ' HB3' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.546 0.212 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.863 HG13 ' HB3' ' A' ' 33' ' ' ALA . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 22' ' ' LEU . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HG2' HG23 ' A' ' 32' ' ' VAL . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' HG2' ' A' ' 29' ' ' PRO . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.863 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.427 0.156 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.406 ' O ' HD23 ' B' ' 22' ' ' LEU . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.864 HG13 ' HB3' ' B' ' 33' ' ' ALA . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 22' ' ' LEU . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' B' ' 32' ' ' VAL . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' B' ' 29' ' ' PRO . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.864 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.935 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.935 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.5 mt-10 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.946 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.1 mt-10 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.887 HG13 ' HB3' ' A' ' 33' ' ' ALA . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 28' ' ' ILE . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 22' ' ' LEU . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.887 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.1 mt-10 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' B' ' 22' ' ' LEU . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' B' ' 33' ' ' ALA . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.45 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' B' ' 22' ' ' LEU . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 120.405 0.145 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.988 HG13 ' HB3' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.988 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' B' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 1.041 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.196 0.046 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 36' ' ' ILE . 2.6 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.981 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.981 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 9' ' ' GLN . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.7 mt-10 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.308 0.099 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' B' ' 36' ' ' ILE . 2.5 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.991 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.991 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' B' ' 9' ' ' GLN . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.378 0.132 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.48 0.181 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.962 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 31' ' ' LEU . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.962 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.414 0.15 . . . . 0.0 110.863 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.915 HG13 ' HB3' ' A' ' 33' ' ' ALA . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.915 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.92 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.92 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.956 HG13 ' HB3' ' A' ' 33' ' ' ALA . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.956 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.961 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.961 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.307 0.099 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' HD12 ' A' ' 36' ' ' ILE . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.952 HG13 ' HB3' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 9' ' ' GLN . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 120.306 0.098 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.945 HG13 ' HB3' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.945 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.375 0.131 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.905 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.905 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.9 mt-10 . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.373 0.13 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 120.439 0.161 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG13 ' HB3' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.953 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.965 HG13 ' HB3' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.965 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.528 ' O ' HD12 ' A' ' 5' ' ' ILE . 43.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.716 0.293 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.25 15.53 7.49 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.08 -61.73 1.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -89.14 -23.56 22.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.575 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.1 mt -73.23 -36.55 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.526 0.203 . . . . 0.0 111.193 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 5.1 mt-10 -56.5 -59.24 12.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.882 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -45.19 -32.26 6.93 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.527 2.151 . . . . 0.0 112.714 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.53 -33.2 68.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.76 -33.9 77.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.55 -28.95 61.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.47 -41.83 88.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -66.2 -40.57 90.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.347 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.29 -12.21 39.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.61 13.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 48.2 m-85 -148.04 17.65 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 41.3 42.3 1.73 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.86 136.77 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.155 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 74.7 m-20 -73.44 173.26 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -54.75 -51.74 48.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.46 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.37 -35.34 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.9 -48.67 62.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -63.68 -42.94 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.694 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -71.69 -42.02 67.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -75.97 -28.47 57.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.472 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.32 -48.05 13.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 87.2 m-85 -94.28 -54.55 3.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.35 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.79 -14.54 4.4 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.11 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 pt -58.35 142.29 81.84 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-N 116.944 0.372 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.7 Cg_endo -53.8 168.6 0.75 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.01 1.807 . . . . 0.0 112.006 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 19' ' ' VAL . 6.4 m120 -63.93 -21.66 66.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.987 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.3 -52.1 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.774 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 29' ' ' PRO . 60.4 t -59.19 -30.56 44.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.817 0.341 . . . . 0.0 110.555 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -75.7 -42.73 50.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.571 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.96 -28.81 69.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -61.56 -34.35 75.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.106 0.479 . . . . 0.0 110.105 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.61 -46.88 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.05 -38.88 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.53 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.79 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -73.95 -32.33 63.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.029 0.442 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.8 122.31 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -47.35 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.337 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.58 -28.39 63.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.331 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 m -94.85 -28.42 15.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -56.64 -49.11 75.98 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.223 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.36 133.6 39.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.769 0.318 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 mt -88.31 15.51 7.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.09 -61.74 1.82 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -89.02 -23.63 22.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.664 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.513 HD12 ' O ' ' B' ' 1' ' ' PHE . 51.3 mt -73.21 -36.69 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 111.257 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.33 -59.3 12.39 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -45.15 -32.29 6.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.506 2.137 . . . . 0.0 112.716 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.52 -33.11 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.88 -33.82 76.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -74.57 -28.87 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -66.56 -41.83 87.99 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -66.22 -40.57 90.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.3 -12.29 40.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.78 -20.62 13.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.3 m-85 -148.06 17.68 1.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.547 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 41.31 42.28 1.73 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -58.81 136.73 57.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.421 ' O ' HD23 ' B' ' 22' ' ' LEU . 74.7 m-20 -73.41 173.26 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.931 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.8 t -54.82 -51.67 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.507 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -55.24 -35.43 64.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.965 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.92 -48.54 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.523 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.3 mm? -63.77 -42.95 97.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.731 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 18.5 t -71.68 -41.93 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.382 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -76.05 -28.54 57.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.492 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -80.22 -48.07 13.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 111.265 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 87.9 m-85 -94.18 -54.56 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.479 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.83 -14.58 4.39 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.228 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -58.27 142.33 81.37 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.862 0.331 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.662 ' HG2' HG23 ' B' ' 32' ' ' VAL . 9.5 Cg_endo -53.92 168.56 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.165 1.91 . . . . 0.0 111.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.499 ' O ' HG11 ' B' ' 19' ' ' VAL . 6.4 m120 -63.98 -21.51 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.004 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.39 -52.06 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.662 HG23 ' HG2' ' B' ' 29' ' ' PRO . 60.5 t -59.19 -30.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.931 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -75.71 -42.64 50.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.703 ' HA ' HG22 ' B' ' 19' ' ' VAL . 0.0 OUTLIER -61.01 -28.69 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.687 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -61.69 -34.38 75.66 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.011 0.434 . . . . 0.0 110.03 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.54 -46.82 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.35 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.11 -38.88 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.355 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.51 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.82 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.1 -32.18 63.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.9 122.24 16.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.29 61.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.6 -28.43 63.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.333 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 m -94.85 -28.4 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -76.42 133.63 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' B' ' 31' ' ' LEU . 11.7 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.9 mm? -90.21 17.53 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -90.13 -54.04 4.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -90.3 -27.84 19.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.4 mt -72.96 -37.49 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.234 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.89 -59.29 12.02 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -44.75 -37.38 11.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.694 2.263 . . . . 0.0 112.657 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.39 -33.51 73.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -37.69 86.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.64 -32.04 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -67.93 -39.46 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.1 t60 -67.37 -39.03 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.558 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.97 -11.56 48.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 12.1 ttmm -105.35 -23.44 12.85 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 32.8 m-85 -145.5 16.92 1.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 42.03 42.52 2.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.147 0.499 . . . . 0.0 111.942 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -56.21 149.96 15.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.464 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.47 172.7 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.663 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.975 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.5 t -52.97 -53.35 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.55 -29.76 64.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -74.78 -45.13 45.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.9 mm? -68.98 -41.62 77.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -71.59 -36.04 70.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -80.22 -32.53 38.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.312 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -78.1 -34.65 50.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.435 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -110.89 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.82 80.28 0.24 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.223 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -148.11 146.37 23.24 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.363 0.125 . . . . 0.0 111.137 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.83 151.36 15.61 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.246 1.964 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.72 -26.42 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.421 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' B' ' 1' ' ' PHE . 4.7 tp -69.71 -46.71 65.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 21.6 t -65.32 -46.93 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.975 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.32 -35.28 79.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -61.82 -35.43 78.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -63.86 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.48 -54.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.82 -38.58 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.1 -34.47 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.62 -29.86 70.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.79 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.3 t -59.26 138.65 57.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.74 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -57.42 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.804 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.61 -52.07 61.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.91 0.385 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -56.75 -28.7 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.253 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -76.53 -69.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.08 113.34 14.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.988 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 31' ' ' LEU . 11.5 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.804 0.335 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 2' ' ' LEU . 4.0 mm? -90.21 17.58 6.92 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.063 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -90.16 -54.03 4.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.995 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -90.11 -27.84 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.448 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.6 mt -73.21 -37.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.18 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -55.9 -59.39 11.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.069 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -44.64 -37.23 11.14 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.627 2.218 . . . . 0.0 112.739 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.62 -33.36 72.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -37.8 87.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.55 -32.05 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -67.8 -39.51 83.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -67.5 -38.95 85.07 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.478 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -66.08 -11.51 49.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 12.2 ttmm -105.38 -23.32 12.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 33.4 m-85 -145.48 16.89 1.49 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 42.17 42.33 2.43 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.059 0.456 . . . . 0.0 111.882 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 40.8 m -55.95 149.86 14.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.535 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -87.41 172.73 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.748 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 37.0 t -53.0 -53.34 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -57.68 -29.63 64.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -74.71 -45.23 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.88 -41.75 77.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.786 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -71.39 -36.19 71.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.333 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -80.3 -32.49 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.354 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 2.1 tmtm? -78.12 -34.68 49.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.345 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -110.91 -67.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.142 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.68 80.36 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.278 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -148.14 146.39 23.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.509 0.195 . . . . 0.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.86 151.34 15.78 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.205 1.936 . . . . 0.0 112.212 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.63 -26.4 32.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.479 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.484 HD23 ' CE2' ' A' ' 1' ' ' PHE . 4.7 tp -69.9 -46.51 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 21.6 t -65.35 -46.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.11 -35.41 80.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.74 -35.48 78.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.91 -32.71 74.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.46 -54.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.704 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.04 -38.65 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.637 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.22 -34.3 75.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.3 t -66.54 -29.92 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.21 138.63 57.52 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.727 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.32 -57.4 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.895 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -53.56 -52.13 60.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.889 0.376 . . . . 0.0 111.432 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -56.7 -28.76 61.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.316 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -76.29 -69.75 0.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.927 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -76.77 113.39 14.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 15.7 mttt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.823 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' ILE . 42.9 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.888 0.375 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.9 -20.65 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.374 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.29 -41.09 73.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.514 0.197 . . . . 0.0 111.428 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -90.82 -22.68 20.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.645 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 1' ' ' PHE . 34.6 mt -82.82 -34.5 11.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.472 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.4 mt-10 -58.98 -53.97 61.17 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.549 0.214 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.0 Cg_exo -46.29 -36.86 17.97 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.64 2.227 . . . . 0.0 112.573 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.4 -34.8 76.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.28 -37.79 86.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.775 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.48 -31.55 67.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.3 t60 -62.86 -40.08 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.681 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.44 -11.89 47.16 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -106.78 -20.03 13.47 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 51.0 m-85 -147.84 15.8 1.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 40.89 41.63 1.27 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 m -58.51 151.13 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.155 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -82.69 -167.33 1.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.941 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.2 t -74.07 -48.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.988 0.423 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -42.91 83.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.327 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -63.24 -47.19 83.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.1 -43.06 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -70.7 -33.69 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.26 -34.19 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.203 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -80.05 -41.32 25.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.35 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -97.98 -46.72 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.428 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.87 -15.88 9.53 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.141 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.9 pt -55.88 143.52 60.85 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 117.001 0.4 . . . . 0.0 111.381 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.04 -165.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.25 1.966 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -38.02 16.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.99 -46.4 90.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' ' CZ ' ' B' ' 1' ' ' PHE . 37.2 t -69.79 -40.85 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.941 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -67.19 -32.44 73.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.98 -34.68 78.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.96 -34.97 75.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.85 -53.71 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.25 -37.97 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -62.75 -37.6 87.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -64.13 -32.63 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.19 116.97 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.641 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.25 -27.62 63.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.578 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.56 -23.44 46.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.694 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.6 m -99.35 -26.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.09 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 111.313 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.13 153.46 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.813 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.486 ' O ' HD12 ' B' ' 5' ' ' ILE . 43.1 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.782 0.325 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.07 -20.42 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.423 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.34 -41.12 73.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.618 0.247 . . . . 0.0 111.44 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -90.82 -22.7 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.637 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 1' ' ' PHE . 35.0 mt -82.67 -34.62 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.4 mt-10 -58.93 -53.87 62.17 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 84.5 Cg_exo -46.41 -36.78 18.4 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.687 2.258 . . . . 0.0 112.514 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.52 -34.79 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -66.25 -37.77 86.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -71.44 -31.65 67.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.75 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -66.86 -43.28 84.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.987 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.3 t60 -62.82 -40.2 96.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.687 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -11.86 45.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.4 OUTLIER -106.84 -19.92 13.49 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 51.1 m-85 -147.88 15.69 1.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 40.98 41.58 1.29 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.99 0.424 . . . . 0.0 112.102 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -58.47 151.21 20.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.106 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.67 -167.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.7 t -73.95 -48.26 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -42.76 84.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.359 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.22 -47.23 83.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.13 -42.96 79.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -70.89 -33.51 70.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -80.54 -34.21 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -79.88 -41.3 26.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.469 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -97.97 -46.74 5.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.444 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.9 -15.77 9.52 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.092 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.06 143.58 62.31 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.97 0.385 . . . . 0.0 111.399 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 -165.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.358 2.038 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.35 -38.04 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.16 -46.38 90.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 1' ' ' PHE . 37.4 t -69.8 -40.88 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.085 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -66.87 -34.58 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.19 -34.9 75.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.78 -53.8 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.19 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.54 -37.78 87.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.2 m -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.22 116.99 6.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.74 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.551 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -78.61 -23.24 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.739 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 23.4 m -99.48 -26.45 14.11 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.38 -42.66 98.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.19 153.41 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.151 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.811 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' A' ' 5' ' ' ILE . 31.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.63 17.77 7.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.61 -60.13 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -22.7 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.673 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.547 HD12 ' CD1' ' A' ' 1' ' ' PHE . 49.6 mt -75.08 -37.2 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.669 0.271 . . . . 0.0 111.286 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -58.14 16.57 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.978 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -45.08 -35.57 10.65 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.622 2.215 . . . . 0.0 112.61 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -66.56 -41.47 88.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.429 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.27 -31.55 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.453 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.53 -43.38 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.8 t60 -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.93 -13.79 38.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.1 ttmm -104.33 -22.52 13.33 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.0 m-85 -146.04 14.97 1.34 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 42.03 45.93 3.49 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.43 157.15 20.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.67 -174.23 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.9 t -70.07 -48.8 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -41.97 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.22 -43.34 86.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 t -67.82 -34.64 77.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.37 -34.6 36.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.85 -52.71 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.484 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.1 m-85 -89.74 -60.1 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.436 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.16 70.11 0.28 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.343 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 pt -140.93 152.75 66.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.446 0.165 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 155.57 34.66 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.266 1.977 . . . . 0.0 112.059 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.7 -30.76 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.66 -55.8 23.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.557 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.82 -47.69 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.881 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.43 -34.63 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.9 -31.11 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -67.99 -55.04 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.663 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.09 -38.25 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -65.07 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.2 t -71.37 -30.86 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.29 131.77 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.99 12.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -28.43 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.277 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.3 m -93.08 -30.99 15.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.87 -41.88 88.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -91.48 23.59 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.206 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.992 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' B' ' 5' ' ' ILE . 31.2 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.878 0.371 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.62 17.73 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.934 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -87.59 -60.26 2.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -22.76 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.71 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.549 HD12 ' CD1' ' B' ' 1' ' ' PHE . 49.7 mt -74.92 -37.32 41.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.615 0.245 . . . . 0.0 111.294 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -58.11 16.8 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.024 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.96 -35.69 10.34 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -66.54 -41.46 88.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.25 -37.89 84.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.436 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.33 -31.43 69.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.547 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -67.42 -43.48 81.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -61.89 -41.94 98.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.78 -13.84 37.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 5.0 ttmm -104.3 -22.63 13.33 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.444 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 36.5 m-85 -145.96 15.06 1.36 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.99 46.03 3.47 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -62.59 157.22 21.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -174.21 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.857 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.7 t -69.99 -48.8 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.003 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -42.02 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.979 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.75 -48.71 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.31 -43.25 86.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.5 t -67.82 -34.71 77.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -80.34 -34.52 36.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -74.76 -52.89 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.54 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.1 m-85 -89.72 -59.86 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.577 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.0 70.13 0.29 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.384 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 pt -140.94 152.71 66.1 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.414 0.15 . . . . 0.0 111.255 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.3 155.65 34.21 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.204 1.936 . . . . 0.0 111.992 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.6 -30.92 67.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.67 -55.88 22.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.74 -47.67 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.34 -34.75 78.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -62.82 -31.22 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -34.36 78.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.8 -55.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.736 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.97 -38.28 81.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -65.01 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.3 t -71.26 -31.13 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.15 131.92 48.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -49.11 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -28.39 62.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 30.7 m -93.03 -30.97 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.81 -42.1 88.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -91.49 23.68 3.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.196 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.002 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.0 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.63 -14.43 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.22 -66.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.62 0.248 . . . . 0.0 111.577 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -25.57 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 1' ' ' PHE . 67.1 mt -70.16 -32.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.676 0.274 . . . . 0.0 111.252 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.7 mt-10 -58.64 -61.14 8.27 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 97.5 Cg_exo -42.22 -39.71 6.28 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.694 2.263 . . . . 0.0 112.983 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.97 -38.1 87.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.6 -36.24 80.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.65 -30.46 64.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -68.73 -41.14 79.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -64.78 -43.3 93.66 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.814 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.76 -12.61 36.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 7.8 ttmt -102.53 -26.35 13.26 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.1 m-85 -145.28 12.67 1.38 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.6 m-70 44.92 42.6 6.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.943 0.402 . . . . 0.0 111.698 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -57.82 148.38 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.54 -172.5 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.9 t -70.81 -50.94 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -41.43 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -46.13 88.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.35 -41.39 73.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.607 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -70.0 -36.55 75.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.28 -31.34 38.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 7.8 tmtm? -79.29 -38.42 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.525 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.5 m-85 -103.78 -58.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.311 . . . . 0.0 111.289 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.96 65.32 0.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.468 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -137.92 144.59 44.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.289 0.09 . . . . 0.0 111.018 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.58 158.09 6.38 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.22 1.947 . . . . 0.0 112.146 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -57.81 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.49 -54.27 42.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.18 -47.85 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.39 -37.34 85.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -64.51 -38.88 92.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -58.98 -42.28 89.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.23 -51.29 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.21 -38.54 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.407 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.29 -31.04 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.746 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -71.76 -30.86 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t -66.48 124.47 22.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.0 -45.66 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -58.2 -27.82 64.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.242 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -94.56 -29.78 14.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.26 -40.23 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.68 107.51 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.799 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.487 ' O ' HD12 ' B' ' 5' ' ' ILE . 62.6 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.63 -14.56 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.816 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.94 -66.65 0.36 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 111.704 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -25.47 37.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.487 HD12 ' O ' ' B' ' 1' ' ' PHE . 68.1 mt -70.29 -32.64 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.602 0.239 . . . . 0.0 111.175 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.7 mt-10 -58.69 -61.14 8.3 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 98.3 Cg_exo -42.21 -39.78 6.3 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.737 2.291 . . . . 0.0 112.94 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.91 -38.07 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -61.55 -36.37 80.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -72.48 -30.52 64.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -68.67 -41.16 79.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -64.71 -43.4 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -63.67 -12.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 7.8 ttmt -102.52 -26.33 13.27 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 48.6 m-85 -145.32 12.65 1.37 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 44.98 42.65 6.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.044 0.449 . . . . 0.0 111.77 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -57.97 148.49 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.257 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -77.75 -172.41 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.987 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.8 t -70.87 -50.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -41.46 82.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.33 -46.01 88.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.46 -41.18 73.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -70.04 -36.55 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -80.27 -31.43 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 7.8 tmtm? -79.27 -38.42 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 97.6 m-85 -103.88 -58.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.275 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.94 65.23 0.27 Allowed Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.346 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 pt -137.92 144.67 44.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.372 0.129 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.71 158.2 6.45 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.187 1.925 . . . . 0.0 112.092 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -57.85 -30.99 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.38 -54.25 43.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.09 -48.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.987 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.32 -37.26 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -64.53 -38.86 92.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -59.01 -42.24 89.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -62.28 -51.22 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.27 -38.49 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.336 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -60.35 -31.15 70.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -71.59 -30.92 66.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.56 124.53 23.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.87 -45.73 40.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -58.14 -27.97 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 m -94.39 -29.98 14.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.24 -40.14 89.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.74 107.48 7.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.817 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 5' ' ' ILE . 23.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.35 -23.93 67.63 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.344 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.03 -53.19 56.41 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -89.62 -21.36 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 1' ' ' PHE . 77.6 mt -79.42 -32.34 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.302 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.0 mm-40 -60.89 -56.08 38.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.69 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 87.7 Cg_exo -46.59 -34.73 15.6 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.501 2.134 . . . . 0.0 112.56 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.27 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.23 -45.08 70.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.714 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.38 -30.98 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.81 -43.73 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -60.85 -40.48 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.788 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.4 -12.95 34.71 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -106.55 -24.65 12.11 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 58.8 m-85 -139.87 8.29 2.32 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 44.67 38.6 2.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.959 0.409 . . . . 0.0 111.978 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.18 159.45 5.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.05 -176.67 5.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.4 t -68.01 -48.95 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -43.37 69.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.37 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.38 -47.2 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.03 -37.62 86.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -72.75 -37.13 67.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.18 -33.7 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.297 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -76.75 -49.51 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.502 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.54 -62.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.447 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.34 75.47 0.28 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.184 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.3 pt -150.29 147.73 22.58 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.354 0.121 . . . . 0.0 111.009 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' HG23 ' A' ' 32' ' ' VAL . 11.6 Cg_endo -55.53 -177.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.233 1.956 . . . . 0.0 111.997 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.81 -29.52 40.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.27 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' B' ' 1' ' ' PHE . 22.3 tp -65.07 -55.68 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.228 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 29' ' ' PRO . 25.8 t -64.23 -40.91 90.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.892 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -68.59 -31.56 70.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -70.73 -30.19 66.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -60.87 -34.77 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -69.28 -52.17 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.89 -38.72 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.75 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.42 -37.6 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.9 -31.08 72.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -67.98 119.93 13.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.57 56.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.69 -30.22 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -91.46 -30.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.032 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.53 -53.88 48.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.67 145.53 27.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' B' ' 5' ' ' ILE . 23.3 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.631 0.253 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.43 -23.89 67.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.374 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.92 -53.46 52.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -89.45 -21.26 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.955 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' B' ' 1' ' ' PHE . 77.5 mt -79.52 -32.32 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.509 0.195 . . . . 0.0 111.357 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 2.0 mm-40 -60.83 -56.12 38.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.71 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.6 Cg_exo -46.48 -34.85 15.38 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.439 2.093 . . . . 0.0 112.574 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.35 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.12 -45.01 71.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.54 -30.86 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.79 -43.71 87.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -60.89 -40.54 93.42 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.31 -13.03 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.0 OUTLIER -106.42 -24.95 12.09 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 58.4 m-85 -139.77 8.39 2.34 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 44.5 38.76 2.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.91 0.386 . . . . 0.0 111.817 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.14 159.36 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -89.03 -176.63 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.0 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.1 t -68.03 -48.84 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.27 69.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.383 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.47 -47.27 73.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.88 -37.63 86.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -72.81 -37.24 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.02 -33.78 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -76.75 -49.5 15.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.537 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -92.49 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.395 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.36 75.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.21 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 pt -150.35 147.68 22.36 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.37 0.129 . . . . 0.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HG2' HG23 ' B' ' 32' ' ' VAL . 11.5 Cg_endo -55.66 -177.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.134 1.889 . . . . 0.0 112.033 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -79.95 -29.55 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.12 -55.72 17.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.412 HG23 ' HG2' ' B' ' 29' ' ' PRO . 25.7 t -64.16 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.873 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -68.68 -31.49 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.059 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -70.67 -30.37 66.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.76 -34.67 74.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.39 -52.24 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.77 -38.75 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.787 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -63.94 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.0 119.98 13.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.24 -38.52 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -61.8 -30.15 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.3 m -91.53 -30.89 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.59 -53.72 50.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -85.72 145.55 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.913 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 25.1 t80 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.776 0.322 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.3 -13.1 62.02 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.772 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.9 -37.63 18.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -90.94 -23.97 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 1' ' ' PHE . 26.8 mt -82.7 -36.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.559 0.219 . . . . 0.0 111.407 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -54.67 50.39 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.55 -33.62 13.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.59 2.194 . . . . 0.0 112.697 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.84 -29.41 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.17 -38.17 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.48 -35.36 73.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.51 -33.38 73.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.792 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.5 t60 -71.66 -40.75 69.45 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.502 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -64.47 -13.33 51.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -102.06 -22.79 14.18 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.433 ' CD2' ' HB2' ' A' ' 14' ' ' LYS . 30.1 m-85 -148.52 18.05 1.04 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 39.98 44.45 1.43 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.034 0.534 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -59.14 153.72 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -88.44 -170.08 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.855 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.6 t -68.44 -59.26 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.474 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -32.64 43.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.896 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -73.02 -44.74 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.67 -39.1 70.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.718 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.81 -36.16 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.188 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -80.45 -34.07 36.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -74.91 -41.64 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.5 m-85 -99.97 -69.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.249 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.44 62.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.346 0.117 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.59 165.97 0.61 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.172 1.915 . . . . 0.0 112.25 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.82 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.07 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.26 -41.55 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.548 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.5 -33.35 75.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.785 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -32.3 72.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -63.07 -32.94 74.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.23 -56.27 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.319 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.73 -39.67 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.445 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.2 -33.1 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -68.96 -32.15 71.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.2 120.89 14.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.703 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.32 -41.31 61.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.08 -28.98 69.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.01 -28.49 17.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.35 -55.79 27.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -168.51 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 mttp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.817 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' O ' HD12 ' B' ' 5' ' ' ILE . 25.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.32 -13.1 62.03 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.838 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.88 -37.53 19.04 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -90.93 -24.15 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.462 HD12 ' O ' ' B' ' 1' ' ' PHE . 26.1 mt -82.39 -36.63 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.509 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -54.6 51.41 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.64 -33.71 13.92 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.558 2.172 . . . . 0.0 112.628 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.68 -29.45 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.32 -35.34 73.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.4 t60 -71.61 -40.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.552 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -13.13 52.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' B' ' 15' ' ' TYR . 0.5 OUTLIER -102.21 -22.98 14.08 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' B' ' 14' ' ' LYS . 30.2 m-85 -148.33 17.98 1.06 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.513 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.5 m-70 39.99 44.44 1.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.964 0.506 . . . . 0.0 112.282 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -59.17 153.66 17.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -88.37 -170.07 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.35 -59.39 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.464 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -32.71 43.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.878 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.88 -44.84 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 mt -71.72 -39.0 70.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.76 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -71.69 -36.3 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -80.58 -34.12 35.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.289 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -41.43 60.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.5 m-85 -100.08 -69.73 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.256 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.45 62.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.43 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 pt -134.63 143.72 47.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 111.08 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.72 165.98 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.18 1.92 . . . . 0.0 112.177 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.74 -31.52 72.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.797 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.99 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.701 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.16 -41.47 69.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.623 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.871 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.58 -33.24 75.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.816 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -32.36 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.585 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.89 -33.1 74.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -68.15 -56.39 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.51 -39.85 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.467 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -60.11 -33.13 71.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.96 120.7 14.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.34 61.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.16 -28.84 69.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.4 m -92.11 -28.66 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.28 -55.64 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.818 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.33 -168.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mttp . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' O ' HD12 ' A' ' 5' ' ' ILE . 45.1 t80 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.75 0.31 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -89.43 16.27 7.85 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.973 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.4 -59.42 2.19 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -83.77 -28.1 28.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.327 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 1' ' ' PHE . 63.6 mt -68.28 -33.4 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -57.77 -62.12 6.03 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 92.3 Cg_exo -41.71 -42.34 6.21 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.825 2.35 . . . . 0.0 113.151 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.76 -39.88 93.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.11 -39.77 91.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.14 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.98 -47.0 76.04 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.0 t60 -63.75 -39.96 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.266 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.61 -12.49 46.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.8 ttmm -106.53 -19.18 13.75 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 57.6 m-85 -148.22 14.88 1.02 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.3 m-70 40.65 39.56 0.78 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -57.17 162.76 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.367 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 -178.99 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.991 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' A' ' 33' ' ' ALA . 31.4 t -66.57 -46.98 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -56.85 -41.11 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.16 -40.82 86.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 36' ' ' ILE . 60.4 mt -73.62 -40.65 63.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -71.02 -31.86 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -80.28 -31.34 38.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 6.9 tmtm? -80.04 -56.25 4.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 91.6 m-85 -89.8 6.32 42.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.45 26.94 39.4 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.328 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 pt -90.34 150.92 43.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 122.87 -0.194 . . . . 0.0 111.066 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.769 ' HG2' HG23 ' A' ' 32' ' ' VAL . 28.5 Cg_endo -63.06 154.65 65.92 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.09 1.86 . . . . 0.0 111.965 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.0 -24.35 23.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.8 -53.95 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG23 ' HG2' ' A' ' 29' ' ' PRO . 30.5 t -60.82 -47.15 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.49 -37.25 77.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.302 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -64.97 -36.88 85.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.085 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.47 -34.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.211 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' A' ' 22' ' ' LEU . 38.6 mt -66.67 -54.51 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 t -60.45 -40.71 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.634 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.19 -32.37 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.361 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 t -72.8 -32.27 65.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.74 123.3 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.82 36.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.07 -28.2 66.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -92.4 -29.87 16.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.71 -42.07 82.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.618 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.93 116.33 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.96 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.519 ' O ' HD12 ' B' ' 5' ' ' ILE . 44.7 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.809 0.338 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' B' ' 2' ' ' LEU . 0.2 OUTLIER -89.21 16.31 7.51 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.36 -59.46 2.18 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -83.84 -28.09 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.519 HD12 ' O ' ' B' ' 1' ' ' PHE . 63.9 mt -68.24 -33.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.413 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER -57.8 -62.22 5.84 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 93.0 Cg_exo -41.65 -42.28 6.04 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.807 2.338 . . . . 0.0 113.188 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.96 -39.69 92.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.24 -39.77 91.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 110.585 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.14 -33.66 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.87 -46.93 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -63.73 -39.75 95.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.423 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -64.81 -12.42 47.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmm -106.54 -19.18 13.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 57.0 m-85 -148.25 14.8 1.01 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.3 m-70 40.64 39.74 0.81 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 36.4 m -57.3 162.81 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.312 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.96 -178.82 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.963 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.66 -46.9 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.8 -41.33 77.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.295 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.0 -40.71 87.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 36' ' ' ILE . 60.2 mt -73.76 -40.59 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.79 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -70.92 -32.05 68.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.22 -31.28 38.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 6.9 tmtm? -80.13 -56.13 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 91.6 m-85 -89.76 6.16 42.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.041 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.53 26.98 40.15 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.269 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 pt -90.43 150.83 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.621 0.21 . . . . 0.0 111.037 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.774 ' HG2' HG23 ' B' ' 32' ' ' VAL . 28.5 Cg_endo -63.0 154.6 66.0 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.034 1.822 . . . . 0.0 111.986 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -54.92 -24.37 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.84 -53.92 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' B' ' 29' ' ' PRO . 31.5 t -60.87 -47.05 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.963 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.44 -37.43 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.32 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.79 -36.8 85.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.69 -34.84 73.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 22' ' ' LEU . 38.3 mt -66.76 -54.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.728 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -60.5 -40.63 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.21 -32.31 73.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.434 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -72.95 -32.25 65.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.698 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.59 123.26 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.05 -43.05 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.85 -28.49 66.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -92.26 -29.9 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.69 -42.12 82.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -84.81 116.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.968 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.878 0.371 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.3 mm? -65.29 -23.06 66.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.406 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -72.94 -38.12 66.92 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.2 -25.47 19.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.5 mt -81.45 -39.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 8.5 mt-10 -56.65 -53.19 67.23 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.221 -0.191 . . . . 0.0 111.231 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.0 Cg_exo -48.27 -38.55 33.87 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.535 2.156 . . . . 0.0 112.303 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -65.21 -37.93 88.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.59 -34.19 76.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -71.48 -33.38 69.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.485 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -68.17 -39.71 82.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -66.45 -39.85 89.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.525 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.81 -12.43 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -102.38 -26.97 13.09 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -143.25 14.1 1.83 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.7 m-70 44.03 44.61 6.24 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.127 0.489 . . . . 0.0 111.745 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -58.05 156.06 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.183 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 173.02 8.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.967 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -54.98 -54.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.359 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -27.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.05 -46.42 18.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.627 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.99 -37.31 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -74.14 -38.48 63.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.287 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.07 -34.44 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.146 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 3.6 tmtm? -75.41 -29.15 59.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.307 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 95.2 m-85 -115.33 -71.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.216 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.24 67.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.57 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.5 pt -142.01 142.5 24.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 122.941 -0.152 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.31 163.91 3.18 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.194 1.929 . . . . 0.0 112.256 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.22 -55.82 21.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.29 -41.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.8 -36.71 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -60.24 -34.47 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.686 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.21 -36.68 80.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.612 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.1 t -62.09 -39.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.27 -35.74 76.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.688 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.59 -31.13 72.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -67.06 127.77 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.3 -44.55 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.6 -30.55 68.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -86.9 -35.76 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.194 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.15 -62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 110.42 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.23 127.11 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.552 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.817 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.3 mm? -65.44 -23.11 66.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.399 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.87 -38.15 67.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.13 -25.49 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 47.9 mt -81.58 -39.0 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 8.6 mt-10 -56.64 -53.19 67.17 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.251 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 71.0 Cg_exo -48.14 -38.77 33.23 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.428 2.085 . . . . 0.0 112.323 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -65.0 -38.0 89.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -62.52 -34.37 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.32 -33.57 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.436 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -68.05 -39.73 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.838 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.4 t60 -66.35 -39.94 89.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.555 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.82 -12.43 48.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -102.33 -27.17 13.0 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -143.2 14.39 1.85 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.523 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.6 m-70 43.94 44.38 5.91 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.128 0.49 . . . . 0.0 111.914 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -57.81 155.9 9.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -90.48 172.98 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.2 t -54.92 -54.59 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -27.25 47.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.205 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.09 -46.65 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.486 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' B' ' 22' ' ' LEU . 2.5 mm? -66.88 -37.27 84.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.516 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.6 m -74.21 -38.27 63.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -80.18 -34.51 37.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 3.6 tmtm? -75.21 -29.22 60.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.448 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 95.0 m-85 -115.37 -71.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.183 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.39 67.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.23 142.46 24.21 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.366 0.127 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.32 163.97 3.15 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.185 1.923 . . . . 0.0 112.148 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.81 -31.97 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.29 -55.87 21.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -61.45 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -66.82 -36.69 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -60.21 -34.49 73.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.27 -36.56 80.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.72 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.24 -58.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 36.2 t -62.18 -39.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.536 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.39 -35.68 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -65.64 -31.13 71.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.789 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.1 t -67.0 127.57 33.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.02 -44.7 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.54 -30.46 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 m -87.01 -35.69 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.26 -62.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.343 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.06 127.18 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.761 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.495 ' O ' HD12 ' A' ' 5' ' ' ILE . 34.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.775 0.322 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.71 -9.22 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -61.32 2.18 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.687 0.279 . . . . 0.0 111.419 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.1 -11.52 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 1' ' ' PHE . 74.1 mt -87.69 -32.52 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 5.8 mt-10 -59.11 -52.75 72.44 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.656 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 72.8 Cg_exo -48.47 -31.1 17.23 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.78 -37.82 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.97 -31.73 72.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -77.26 -31.74 55.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.06 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.97 -40.71 78.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.298 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.3 -12.44 41.7 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 6.1 ttmt -105.39 -22.54 13.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 48.5 m-85 -146.68 15.72 1.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.5 m-70 41.82 45.26 3.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.078 0.466 . . . . 0.0 112.124 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 m -60.51 156.88 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.189 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.1 173.12 8.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.4 t -55.81 -50.3 69.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -30.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.93 -45.65 34.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.4 -37.97 83.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.771 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -75.57 -33.87 60.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.233 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.51 -34.54 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.459 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 3.0 tmtm? -75.47 -38.92 59.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.813 0.34 . . . . 0.0 111.441 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.5 m-85 -107.76 -67.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.46 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.66 80.11 0.26 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.416 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.99 153.88 42.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.443 0.164 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.737 ' HG2' HG23 ' A' ' 32' ' ' VAL . 30.1 Cg_endo -63.2 161.94 28.51 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.159 1.906 . . . . 0.0 111.942 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -27.05 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.178 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.3 -57.8 6.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' HG2' ' A' ' 29' ' ' PRO . 24.5 t -62.19 -39.33 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.832 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -69.97 -38.06 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -63.66 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -58.79 -37.16 75.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.35 -55.46 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.527 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.94 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.099 0.476 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.88 -40.4 92.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.498 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.94 -31.98 73.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.533 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.13 127.25 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -58.46 -30.22 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -88.75 -27.13 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.372 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.95 -38.65 89.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.637 0.256 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.45 141.57 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.489 ' O ' HD12 ' B' ' 5' ' ' ILE . 33.9 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.787 0.327 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 51.6 mt -70.8 -9.03 56.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 -61.27 2.19 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.29 . . . . 0.0 111.49 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -85.08 -11.59 54.93 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.489 HD12 ' O ' ' B' ' 1' ' ' PHE . 73.6 mt -87.65 -32.53 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.187 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.15 -52.76 72.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.4 -31.19 17.16 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.487 2.125 . . . . 0.0 112.53 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.01 -31.7 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.771 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.1 -31.79 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.09 -38.2 90.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -68.99 -40.67 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -64.28 -12.43 41.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 6.1 ttmt -105.34 -22.66 13.0 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.5 m-85 -146.63 15.88 1.26 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.4 m-70 41.88 45.09 3.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.049 0.452 . . . . 0.0 112.137 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 11.2 m -60.34 156.95 14.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.19 173.07 8.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.797 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.0 t -55.53 -50.45 66.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.08 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -30.62 63.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.77 -45.87 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.0 mm? -67.35 -37.94 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 25.9 t -75.71 -33.67 60.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -80.6 -34.57 35.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.439 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 3.0 tmtm? -75.49 -38.95 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.393 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.4 m-85 -107.7 -67.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.421 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.68 80.19 0.27 Allowed Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.276 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.6 pt -147.96 153.97 42.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.4 0.143 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.733 ' HG2' HG23 ' B' ' 32' ' ' VAL . 29.9 Cg_endo -63.38 161.97 28.96 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.136 1.891 . . . . 0.0 111.959 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -27.24 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.28 -57.79 6.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.733 HG23 ' HG2' ' B' ' 29' ' ' PRO . 24.3 t -62.07 -39.3 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.797 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -70.0 -38.04 75.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.032 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.89 -36.89 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.54 -55.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 32.3 t -64.27 -40.18 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -60.95 -40.34 92.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -62.89 -32.08 73.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.93 127.29 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.55 18.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.362 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -58.38 -30.23 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.262 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -88.83 -27.12 21.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.38 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.79 -38.69 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.58 141.61 29.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.81 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 5' ' ' ILE . 34.9 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.8 mt -90.3 15.99 9.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.051 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -90.59 -53.91 4.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.889 0.376 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -89.99 -23.03 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.593 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 1' ' ' PHE . 60.7 mt -77.92 -37.26 23.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.582 0.229 . . . . 0.0 111.191 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -57.25 24.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.75 -39.64 18.61 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.61 2.207 . . . . 0.0 112.942 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.84 -35.07 79.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -40.93 94.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.07 -30.15 70.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.42 -42.42 83.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.16 -41.69 97.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.773 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.44 -14.17 37.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -100.5 -36.46 9.18 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 21.3 m-85 -131.65 10.08 4.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 45.86 35.78 2.51 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.856 0.36 . . . . 0.0 111.753 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -56.17 154.77 7.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.497 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.0 m-20 -82.87 177.87 8.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.8 t -64.3 -52.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.378 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.72 -28.44 34.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.14 -57.01 4.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.97 0.414 . . . . 0.0 110.417 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 18' ' ' ASN . 3.7 mp -63.64 -34.68 78.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.71 -45.33 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.385 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -80.99 -24.82 37.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.318 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.69 14.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.37 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.3 m-85 -94.5 -33.25 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.45 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.55 6.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.42 151.18 39.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.445 0.164 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.87 166.69 4.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.342 2.028 . . . . 0.0 112.225 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.74 -31.71 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.46 -46.26 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 17.3 t -64.98 -49.44 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -62.16 -33.75 75.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -64.85 -35.06 79.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.84 -30.77 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mt -72.54 -51.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.31 -36.91 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.732 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.57 -33.45 75.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -69.12 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.9 t -68.0 123.7 21.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.53 -38.84 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.74 -28.28 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.0 -27.37 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.44 -50.91 71.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.247 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -67.34 -177.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.901 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 5' ' ' ILE . 35.0 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.819 0.342 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.7 mt -90.31 16.03 9.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.097 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.66 -53.9 4.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.759 0.314 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -90.13 -22.75 21.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 1' ' ' PHE . 60.6 mt -77.94 -37.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.791 0.329 . . . . 0.0 111.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -57.21 23.86 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.143 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.92 -39.52 19.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.517 2.145 . . . . 0.0 112.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -64.92 -35.1 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.296 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.18 -41.06 94.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.96 -30.18 70.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -42.37 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.24 -41.64 96.89 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.712 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -62.56 -14.21 39.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -100.49 -36.46 9.19 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 21.1 m-85 -131.57 10.04 4.73 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.8 m-70 45.86 35.93 2.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.96 0.41 . . . . 0.0 111.74 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -56.3 154.67 7.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.446 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.596 ' O ' HD12 ' B' ' 22' ' ' LEU . 3.0 m-20 -82.77 177.95 8.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.069 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.984 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.3 t -64.37 -52.69 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.337 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -53.81 -28.33 34.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.455 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.21 -57.06 4.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 18' ' ' ASN . 3.6 mp -63.58 -34.63 78.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -64.77 -45.21 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.454 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -81.08 -24.72 37.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -48.76 14.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.881 0.372 . . . . 0.0 111.322 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.3 m-85 -94.51 -33.14 13.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.535 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 34.44 6.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.466 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 17.8 pt -105.33 151.2 39.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 122.955 -0.144 . . . . 0.0 111.084 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.89 166.79 4.89 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.298 1.999 . . . . 0.0 112.217 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -66.83 -31.58 72.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.57 -46.23 80.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.433 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 17.3 t -65.01 -49.37 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.984 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -62.18 -33.69 75.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -64.97 -35.02 79.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.76 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.78 -30.86 71.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.44 -51.71 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.23 -36.99 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.81 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -63.46 -33.49 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -69.1 -30.91 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.03 123.71 21.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.7 -38.67 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.86 -28.3 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.2 m -94.98 -27.49 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.189 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -57.2 -51.04 70.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -67.34 -177.76 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.919 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.49 ' O ' HD12 ' A' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.0 mt -90.42 17.99 6.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -84.74 -59.38 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -90.12 -27.18 19.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 1' ' ' PHE . 57.1 mt -70.98 -35.46 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 9.5 mm-40 -56.67 -60.68 8.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.827 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 82.3 Cg_exo -43.73 -33.94 5.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.514 2.143 . . . . 0.0 112.698 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -67.42 -39.73 85.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' NE2' HG22 ' A' ' 5' ' ' ILE . 3.2 mt-30 -62.73 -36.49 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.299 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -67.4 -32.25 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.618 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -70.62 -45.98 64.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.792 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -63.58 -40.59 97.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.415 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.39 -13.95 45.1 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 1.4 ttmm -100.29 -40.07 7.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 13.5 m-85 -130.73 19.0 5.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.3 m-70 43.09 42.99 3.55 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.147 0.499 . . . . 0.0 111.906 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -54.18 151.21 7.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.649 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -89.13 172.84 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.917 HG13 ' HB3' ' A' ' 33' ' ' ALA . 39.6 t -56.69 -52.28 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.28 -27.33 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.08 -47.07 15.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 8' ' ' ALA . 3.1 mm? -65.91 -33.74 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.679 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -76.78 -38.28 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.656 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.57 -29.63 41.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 4.8 tttp -80.35 -56.89 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.386 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 74.3 m-85 -91.94 11.23 25.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.41 34.63 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.453 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 22' ' ' LEU . 34.8 pt -100.73 145.96 31.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.948 0.374 . . . . 0.0 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.04 160.25 19.21 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.239 1.96 . . . . 0.0 112.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.71 -29.84 66.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' B' ' 1' ' ' PHE . 2.2 tp -59.22 -59.39 5.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.82 -47.52 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.683 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.76 -34.79 71.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.306 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -63.96 -41.21 97.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.13 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.76 -57.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.692 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.71 -39.6 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.96 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 t -69.49 -30.03 67.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.64 129.32 39.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -47.87 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -56.01 -29.98 61.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.24 -29.98 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.78 -55.35 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.773 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.8 147.64 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.48 ' O ' HD12 ' B' ' 5' ' ' ILE . 39.2 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.827 0.346 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -90.45 18.15 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -84.78 -59.39 2.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -90.12 -27.28 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.48 HD12 ' O ' ' B' ' 1' ' ' PHE . 57.0 mt -71.0 -35.47 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 9.4 mm-40 -56.72 -60.62 8.8 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 80.3 Cg_exo -43.49 -34.17 4.88 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.66 2.24 . . . . 0.0 112.732 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -67.36 -39.67 85.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.987 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' B' ' 5' ' ' ILE . 3.2 mt-30 -62.89 -36.35 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.322 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -67.49 -32.21 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.607 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -70.63 -45.81 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.775 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -63.76 -40.55 96.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.364 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.45 -13.8 44.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 1.4 ttmm -100.32 -40.13 7.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.0 m-85 -130.64 18.88 5.18 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.3 m-70 43.06 43.13 3.57 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.05 0.452 . . . . 0.0 111.772 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.0 m -54.17 151.19 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.654 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.09 172.82 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.894 HG13 ' HB3' ' B' ' 33' ' ' ALA . 39.6 t -56.73 -52.35 55.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -54.21 -27.34 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -80.02 -47.14 15.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.42 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.1 mm? -65.95 -33.67 76.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -76.98 -38.21 53.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.63 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -79.65 -29.47 40.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.163 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 4.7 tttp -80.27 -56.97 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 74.7 m-85 -91.93 11.27 25.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.55 34.28 34.9 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.534 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' B' ' 22' ' ' LEU . 35.0 pt -100.75 146.07 31.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.856 0.328 . . . . 0.0 111.226 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.01 160.2 19.27 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.205 1.937 . . . . 0.0 112.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -58.53 -30.16 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.99 -59.38 5.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.87 -47.56 89.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.688 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.894 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.62 -34.93 71.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.348 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.864 0.364 . . . . 0.0 110.95 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -60.79 -34.19 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -56.96 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -39.71 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -62.3 -32.99 73.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -69.59 -29.93 67.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -66.74 129.36 39.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.87 -47.8 14.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.06 -30.0 61.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.4 m -90.25 -29.82 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.87 -55.41 23.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.744 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -82.73 147.64 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.56 ' HE2' HD23 ' B' ' 31' ' ' LEU . 8.0 t80 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.662 0.268 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.09 14.16 8.06 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.21 -55.96 3.91 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.918 0.39 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -90.06 -24.57 21.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 1' ' ' PHE . 65.2 mt -73.07 -34.81 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.568 0.223 . . . . 0.0 111.325 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -59.23 14.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.85 -33.23 7.08 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.533 2.155 . . . . 0.0 112.912 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.51 -32.68 71.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.82 -38.89 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.51 -34.3 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.74 -44.34 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 9.9 t60 -64.58 -40.4 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.85 -12.28 46.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 8.2 ttmm -103.48 -30.02 10.8 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 22.5 m-85 -142.26 20.15 2.08 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.8 m-70 41.17 45.51 2.44 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.4 m -58.18 145.38 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.3 171.92 14.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 33' ' ' ALA . 44.3 t -53.65 -52.39 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -55.6 -30.13 60.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.202 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -74.56 -48.74 25.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.21 -37.47 85.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.907 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.65 -39.8 61.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.541 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.45 -29.5 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.6 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.4 tmtt? -79.87 -47.86 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.408 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 97.3 m-85 -94.63 -64.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.39 73.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.286 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 pt -146.71 147.67 30.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.346 0.117 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HG2' HG23 ' A' ' 32' ' ' VAL . 16.9 Cg_endo -56.97 179.52 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.27 1.98 . . . . 0.0 112.031 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -73.33 -37.98 65.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.527 HD23 ' HE2' ' B' ' 1' ' ' PHE . 48.3 tp -59.56 -57.29 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 29' ' ' PRO . 46.3 t -58.87 -44.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.885 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.99 -36.91 85.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.9 0.381 . . . . 0.0 111.024 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.78 -35.31 76.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.23 -38.64 77.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.29 -52.83 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.74 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -68.19 -31.87 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -61.08 126.29 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.993 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.37 -27.5 46.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.46 -18.5 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.597 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 m -103.35 -27.02 12.69 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.53 0.205 . . . . 0.0 111.443 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.84 -42.24 99.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.04 160.64 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.527 ' HE2' HD23 ' A' ' 31' ' ' LEU . 8.1 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.59 0.233 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.32 14.1 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.36 -55.81 3.97 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.819 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -90.11 -24.69 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.446 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.447 HD12 ' O ' ' B' ' 1' ' ' PHE . 64.9 mt -72.92 -34.91 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -59.16 14.72 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.931 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.69 -33.45 7.0 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.565 2.177 . . . . 0.0 112.868 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -69.38 -32.75 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.233 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.75 -38.89 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.646 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.64 -34.2 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.86 -44.36 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 9.9 t60 -64.46 -40.45 95.73 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.504 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.83 -12.29 46.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 8.1 ttmm -103.44 -30.0 10.83 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 22.2 m-85 -142.11 19.94 2.1 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.548 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.9 m-70 41.24 45.55 2.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.925 0.49 . . . . 0.0 112.3 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -58.05 145.42 36.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.183 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -81.39 171.96 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.897 HG13 ' HB3' ' B' ' 33' ' ' ALA . 44.5 t -53.67 -52.52 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.29 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -55.41 -30.18 59.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -74.49 -48.99 23.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.98 -37.68 86.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -74.67 -39.66 61.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.554 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -80.54 -29.37 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.641 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' B' ' 26' ' ' PHE . 2.4 tmtt? -80.02 -47.81 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.313 . . . . 0.0 111.286 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 97.3 m-85 -94.68 -64.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.366 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.33 73.94 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.351 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 pt -146.73 147.65 30.73 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.425 0.155 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' B' ' 32' ' ' VAL . 16.9 Cg_endo -57.04 179.45 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.172 1.914 . . . . 0.0 112.133 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -73.13 -38.17 66.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.56 HD23 ' HE2' ' A' ' 1' ' ' PHE . 47.8 tp -59.54 -57.23 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' B' ' 29' ' ' PRO . 46.7 t -59.04 -43.92 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.897 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.09 -36.99 86.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -60.63 -35.37 76.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.21 -38.7 77.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.35 -52.79 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.745 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.76 -38.92 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.78 -35.08 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.2 m -68.23 -31.85 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.07 126.33 26.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.4 -27.46 46.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.43 -18.53 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 m -103.28 -27.05 12.71 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.69 0.281 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.83 -42.39 99.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -81.92 160.71 23.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.832 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 5' ' ' ILE . 7.7 t80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.793 0.33 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.39 -26.97 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.254 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.52 -46.2 80.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.6 -25.58 20.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.806 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG22 HE21 ' A' ' 9' ' ' GLN . 63.8 mt -77.33 -34.21 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 3.2 mm-40 -59.92 -56.77 32.28 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.656 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 84.5 Cg_exo -47.11 -38.66 25.11 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.575 2.183 . . . . 0.0 112.683 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -32.05 72.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.296 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 HE21 HG22 ' A' ' 5' ' ' ILE . 6.9 mt-30 -69.8 -38.54 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.7 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.69 -30.52 69.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.12 -45.9 83.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.9 t60 -63.8 -39.06 93.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.589 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.66 -11.79 47.91 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 5.7 ttmm -105.64 -22.97 12.85 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 37.1 m-85 -145.86 17.22 1.43 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.33 41.14 2.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 111.942 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.9 m -59.38 134.67 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.393 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -72.57 175.24 6.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.868 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.4 t -56.01 -51.65 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.381 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -29.92 43.06 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 17' ' ' SER . 22.5 mm-40 -73.36 -54.5 8.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.336 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.62 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -75.43 -38.19 59.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.42 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.94 -32.0 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.203 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -78.26 -54.86 5.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.367 -179.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.7 m-85 -90.71 2.97 55.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.08 36.08 66.6 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.988 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.62 149.78 37.06 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.497 0.189 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.73 164.78 4.13 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.148 1.899 . . . . 0.0 112.135 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.16 -32.82 74.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.0 110.784 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 ' HE2' ' B' ' 1' ' ' PHE . 54.7 tp -60.16 -55.55 32.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.491 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.14 -51.0 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.997 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.868 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.95 -37.78 83.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.82 -35.46 74.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.63 -35.8 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -67.66 -54.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.644 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.53 -38.34 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.63 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.64 -32.19 73.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.713 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -71.82 -31.7 66.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.5 t -66.87 115.37 6.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.66 70.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.43 -30.21 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -91.6 -24.57 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.283 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -55.08 39.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.39 130.08 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 31' ' ' LEU . 7.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.71 0.29 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.8 mm? -68.32 -26.71 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.422 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -56.74 -46.27 81.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.27 . . . . 0.0 111.669 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -90.43 -25.63 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.804 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.516 HG22 HE21 ' B' ' 9' ' ' GLN . 63.8 mt -77.46 -34.15 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.513 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.414 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 3.2 mm-40 -59.92 -56.68 33.16 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 85.2 Cg_exo -47.11 -38.63 25.04 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.476 2.117 . . . . 0.0 112.783 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.516 HE21 HG22 ' B' ' 5' ' ' ILE . 7.0 mt-30 -69.89 -38.41 76.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.75 -30.55 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -65.13 -45.98 82.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.8 t60 -63.6 -39.26 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.605 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.52 -11.82 47.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 5.7 ttmm -105.58 -23.0 12.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 36.7 m-85 -145.87 17.23 1.43 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 42.29 41.15 2.04 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.185 0.517 . . . . 0.0 111.954 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 21' ' ' GLU . 58.1 m -59.5 134.67 57.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.265 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.48 175.11 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.867 HG13 ' HB3' ' B' ' 33' ' ' ALA . 30.5 t -55.89 -51.67 57.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.451 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -30.07 43.23 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 111.048 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' B' ' 17' ' ' SER . 22.3 mm-40 -73.07 -54.49 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.436 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.18 -34.28 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -75.56 -38.18 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -79.88 -32.16 40.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.199 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -78.15 -54.9 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -90.57 2.75 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.13 36.13 67.08 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.928 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 pt -102.6 149.77 37.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -55.64 164.92 3.88 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.197 1.932 . . . . 0.0 112.13 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.49 -32.61 74.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.19 -55.59 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.06 -50.96 74.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.076 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.98 -37.67 83.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -59.97 -35.4 74.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.762 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -61.74 -35.7 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.66 -54.94 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.707 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.69 -38.2 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.536 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.83 -32.1 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -71.82 -31.77 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.79 115.22 6.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.62 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -91.44 -24.63 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.417 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -55.06 39.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -77.44 130.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.948 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.491 ' O ' HD12 ' A' ' 5' ' ' ILE . 52.9 t80 . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.17 14.39 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.856 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.43 -52.8 4.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.192 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.11 -25.6 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.857 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 1' ' ' PHE . 54.5 mt -75.49 -41.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -56.87 24.95 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.047 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.4 -36.49 30.69 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.387 2.058 . . . . 0.0 112.26 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -71.13 -30.81 66.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.47 -37.07 77.12 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.7 -32.99 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.96 -36.97 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.676 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -67.16 -41.13 86.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.45 -12.82 34.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.3 ttmm -105.69 -23.12 12.81 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 39.9 m-85 -144.77 13.94 1.52 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 42.59 41.64 2.46 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.11 154.49 12.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -86.51 -171.39 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.042 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.7 t -68.77 -55.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -35.0 65.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.232 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.13 -46.9 63.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 mt -70.27 -40.27 74.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.08 -35.13 73.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -80.55 -40.27 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.35 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.224 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 94.8 m-85 -97.29 -70.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.22 48.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.547 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.56 145.22 40.34 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.455 0.169 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' B' ' 1' ' ' PHE . 57.7 Cg_exo -51.78 155.65 7.78 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.353 2.035 . . . . 0.0 112.427 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.02 -30.22 67.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.807 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.46 -50.64 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG11 HG12 ' A' ' 5' ' ' ILE . 13.9 t -65.07 -44.32 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 1.042 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -58.4 -27.96 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.041 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.57 -31.28 66.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -29.96 71.23 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -71.38 -57.59 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.36 -36.25 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.544 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.16 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.89 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -77.8 -32.06 52.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.61 129.38 40.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.5 -49.73 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.289 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.09 -28.71 58.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.402 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 m -92.94 -31.35 14.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.73 85.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.41 147.32 36.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.84 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.479 ' O ' HD12 ' B' ' 5' ' ' ILE . 53.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.916 0.388 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt -90.13 14.43 12.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.902 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.51 -52.74 4.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -91.23 -25.5 19.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.858 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.479 HD12 ' O ' ' B' ' 1' ' ' PHE . 54.3 mt -75.48 -41.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.526 0.203 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -56.81 25.31 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.126 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.4 -36.55 30.83 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.441 2.094 . . . . 0.0 112.24 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -71.12 -30.72 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.694 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.65 -37.25 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.323 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.426 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.99 -36.95 75.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.1 t60 -67.06 -41.14 86.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.48 -12.92 35.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 2.3 ttmm -105.48 -23.25 12.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.8 m-85 -144.72 13.96 1.53 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.8 m-70 42.61 41.55 2.43 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 112.116 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.5 m -58.05 154.39 12.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -86.36 -171.47 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 1.015 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.5 t -68.56 -55.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.24 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -34.95 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -70.14 -46.8 63.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.22 -40.32 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -70.04 -35.15 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -80.63 -40.12 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -68.49 -42.45 78.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.294 -179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.451 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 94.8 m-85 -97.26 -70.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.11 48.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.605 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 pt -120.46 145.35 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.409 0.147 . . . . 0.0 111.068 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.86 155.69 7.95 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.32 2.014 . . . . 0.0 112.462 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.09 -30.03 67.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.58 -50.58 62.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 5' ' ' ILE . 14.1 t -65.22 -44.23 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.779 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 1.015 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -58.4 -28.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.002 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.55 -31.33 66.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -71.38 -57.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.581 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.38 -36.16 73.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.558 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.18 -28.18 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -78.05 -31.97 50.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.64 129.36 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.783 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -49.67 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.12 -28.68 58.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.381 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 31.6 m -93.05 -31.28 14.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.92 -47.81 84.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.39 147.34 36.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.799 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.616 ' O ' HD12 ' A' ' 5' ' ' ILE . 31.8 t80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.035 0.445 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.96 19.54 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.985 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.02 -65.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.683 0.278 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -83.75 -22.09 32.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 1' ' ' PHE . 67.4 mt -74.74 -34.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.62 0.248 . . . . 0.0 110.986 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.43 -59.44 12.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.46 -35.86 4.12 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.783 2.322 . . . . 0.0 113.05 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.2 -37.31 85.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.972 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.48 -40.55 95.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.624 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.91 -31.99 73.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.4 -43.6 90.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.789 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.7 t60 -64.47 -41.19 96.65 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.65 -11.24 43.13 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.28 -22.72 13.0 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 65.9 m-85 -147.9 18.76 1.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.1 m-70 40.83 41.75 1.28 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 m -58.22 146.39 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.304 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' HD23 ' A' ' 22' ' ' LEU . 82.4 m-20 -83.89 169.07 15.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.714 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.867 HG13 ' CB ' ' A' ' 33' ' ' ALA . 41.3 t -50.98 -51.04 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.383 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.86 -29.23 64.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.987 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.88 -36.77 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.6 mm? -74.25 -38.88 63.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 t -76.99 -34.27 57.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.25 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -80.06 -30.85 39.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.21 -37.23 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.293 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.1 m-85 -107.2 -55.26 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.89 -15.02 4.62 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.339 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.93 144.54 36.64 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.992 0.396 . . . . 0.0 111.5 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.04 174.13 6.26 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.934 1.756 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.12 -32.18 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.525 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.36 -58.34 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.344 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' CG2' ' CE2' ' B' ' 1' ' ' PHE . 46.3 t -63.89 -32.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.867 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -72.11 -38.64 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.234 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -62.19 -32.85 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.515 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.1 -36.4 83.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.1 -55.53 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.616 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.37 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.74 -40.78 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.578 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -60.22 -31.87 70.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.672 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.72 119.51 11.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.7 -27.15 58.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.394 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -77.43 -23.22 50.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.627 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -97.06 -24.51 15.74 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.67 -38.77 77.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.66 -178.54 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.997 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.021 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' B' ' 5' ' ' ILE . 31.7 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.83 19.2 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -88.74 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 111.289 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -83.58 -22.21 32.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.667 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 1' ' ' PHE . 67.7 mt -74.74 -33.92 32.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.544 0.212 . . . . 0.0 111.058 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -56.74 -59.38 12.55 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.782 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.39 -35.93 4.06 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.794 2.33 . . . . 0.0 112.991 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -66.25 -37.38 85.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -64.28 -40.6 96.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -64.92 -32.11 73.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.54 -43.2 90.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -64.74 -41.1 96.18 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.597 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.71 -11.23 43.6 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -105.19 -22.97 12.98 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.3 m-85 -147.75 18.68 1.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 40.96 41.56 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 m -58.09 146.37 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.294 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.412 ' O ' HD23 ' B' ' 22' ' ' LEU . 82.3 m-20 -83.81 169.05 15.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.77 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.87 HG13 ' CB ' ' B' ' 33' ' ' ALA . 41.0 t -51.01 -51.0 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.393 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -57.77 -29.3 64.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.979 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.84 -36.88 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.6 mm? -74.12 -38.89 63.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -77.13 -34.09 56.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.26 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -80.08 -31.02 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.078 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -80.15 -37.06 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.424 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.1 m-85 -107.18 -55.45 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.297 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.94 -15.07 4.6 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.342 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.97 144.5 37.25 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.978 0.389 . . . . 0.0 111.548 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.91 174.06 6.21 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.115 1.877 . . . . 0.0 112.242 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.31 -32.12 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.4 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.31 -58.32 7.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.285 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.402 ' CG2' ' CE2' ' A' ' 1' ' ' PHE . 46.5 t -64.04 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.87 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -72.32 -38.68 68.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -62.1 -32.87 73.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.525 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -64.17 -36.28 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.16 -55.5 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.628 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.37 -40.8 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.77 -40.81 96.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.457 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -60.43 -31.73 70.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.65 119.34 11.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.11 58.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -77.31 -23.29 51.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.2 m -97.25 -24.45 15.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.73 -38.69 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -78.75 -178.61 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.935 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.647 ' C ' HD12 ' A' ' 5' ' ' ILE . 64.9 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.353 0.121 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.604 ' H ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -61.86 -18.53 60.44 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.61 -51.81 68.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.2 -28.87 19.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.343 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 1' ' ' PHE . 26.7 mt -67.96 -34.98 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.134 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.411 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 2.4 mt-10 -58.93 -61.6 7.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 86.9 Cg_exo -43.45 -33.96 4.62 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.514 2.143 . . . . 0.0 112.868 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.67 -39.35 80.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.19 -37.46 85.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.59 -31.43 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.66 -41.14 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -63.11 -41.69 99.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.797 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.71 -12.46 34.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -104.61 -22.0 13.32 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -148.83 16.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.34 39.22 1.4 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 m -58.32 134.14 56.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.14 -179.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.971 HG13 ' HB3' ' A' ' 33' ' ' ALA . 26.3 t -62.1 -54.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.22 -32.22 64.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.96 -49.67 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.523 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.0 -40.32 87.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.666 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -67.95 -39.47 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.32 -29.39 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -77.6 -37.93 49.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.48 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 92.8 m-85 -104.12 -49.9 3.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.267 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.43 39.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.418 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.94 146.4 34.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.351 0.12 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.29 159.51 10.19 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.382 2.054 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.48 -32.6 70.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.62 -47.55 80.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 5' ' ' ILE . 14.9 t -64.68 -49.5 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.971 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.33 -34.62 78.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -61.4 -34.37 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.638 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -64.87 -36.41 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.52 -54.79 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.46 -39.48 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -59.46 -31.53 69.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -70.04 -33.82 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -65.67 115.44 5.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.26 -28.69 63.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.393 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -73.4 -25.35 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.5 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -96.8 -31.82 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.691 0.281 . . . . 0.0 111.328 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -53.48 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.39 152.28 36.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.96 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.661 ' C ' HD12 ' B' ' 5' ' ' ILE . 65.0 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.466 0.174 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.616 HD13 ' H ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -62.02 -18.2 59.78 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -58.77 -51.81 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.185 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -89.03 -29.08 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.35 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.661 HD12 ' C ' ' B' ' 1' ' ' PHE . 26.6 mt -67.99 -34.88 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.189 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 2.4 mt-10 -59.07 -61.51 7.68 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 86.4 Cg_exo -43.67 -33.85 5.06 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.525 2.15 . . . . 0.0 112.765 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.62 -39.32 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -37.3 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.618 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.686 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.56 -41.35 93.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.3 t60 -62.91 -41.82 99.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.55 -12.55 33.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -104.56 -22.1 13.32 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -148.76 16.16 0.98 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.3 39.25 1.39 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -58.34 134.12 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -68.18 179.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.99 HG13 ' HB3' ' B' ' 33' ' ' ALA . 26.4 t -61.99 -54.14 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.284 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -56.23 -32.12 64.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.04 -49.82 40.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.93 -40.34 87.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.8 m -68.06 -39.42 82.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -80.32 -29.48 38.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.295 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.449 ' HD3' ' CD1' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -77.65 -38.08 48.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.449 ' CD1' ' HD3' ' B' ' 25' ' ' LYS . 93.7 m-85 -103.85 -50.1 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.314 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.48 38.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -111.83 146.51 34.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 O-C-N 122.927 -0.161 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 159.64 10.36 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.315 2.01 . . . . 0.0 112.368 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -59.59 -32.61 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.64 -47.45 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 5' ' ' ILE . 15.0 t -64.71 -49.49 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.99 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.29 -34.68 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -61.37 -34.39 75.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.5 mt -65.43 -54.89 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.674 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.53 -39.3 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.682 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.65 -31.38 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -70.06 -33.78 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.742 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -65.68 115.51 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.55 -25.33 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.363 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -96.78 -31.79 12.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.296 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -53.66 43.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.36 152.22 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.937 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 5' ' ' ILE . 4.8 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.924 0.392 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.06 17.7 6.63 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.8 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.14 -62.91 1.36 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 111.596 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -85.62 -25.33 26.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' CD1' ' A' ' 1' ' ' PHE . 42.5 mt -70.35 -37.47 70.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.574 0.226 . . . . 0.0 111.506 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -59.38 12.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.315 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.26 -30.84 2.39 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.642 2.228 . . . . 0.0 113.01 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.44 -41.77 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.951 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.481 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.85 -31.9 68.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.549 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.93 -33.92 74.52 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.1 t60 -71.24 -39.65 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.545 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.47 -12.31 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -102.66 -24.31 13.77 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -147.93 17.86 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 42.84 46.73 4.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.17 0.51 . . . . 0.0 112.024 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' HB3' HD22 ' A' ' 22' ' ' LEU . 5.3 m -61.45 145.87 50.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.265 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' HD23 ' A' ' 22' ' ' LEU . 69.0 m-20 -83.82 167.88 16.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.922 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.4 t -50.07 -51.11 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.59 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -29.97 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -77.5 -41.37 39.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.757 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 17' ' ' SER . 3.6 mm? -70.95 -39.24 72.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -75.71 -33.1 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -80.44 -36.47 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.136 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 5.4 tmtm? -76.59 -27.65 55.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.412 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.9 m-85 -118.0 -69.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.276 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.94 85.77 0.46 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.172 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.09 151.48 24.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.493 0.187 . . . . 0.0 111.177 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.97 164.31 2.6 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.189 1.926 . . . . 0.0 111.941 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.69 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.84 -51.07 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 17.6 t -61.96 -48.5 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.922 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.57 -33.5 75.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.82 -36.87 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -60.21 -32.5 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.666 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -64.17 -57.17 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.74 -41.73 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.431 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.6 -38.68 85.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.683 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -64.24 -32.43 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.74 128.78 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.85 27.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.54 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.6 -26.3 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.714 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 m -90.45 -34.28 15.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.647 0.261 . . . . 0.0 111.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.28 -38.84 88.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.55 24.09 3.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.73 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.513 ' CD1' HD12 ' B' ' 5' ' ' ILE . 4.8 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.924 0.393 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.15 17.77 6.65 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.768 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -90.2 -63.08 1.33 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.669 0.271 . . . . 0.0 111.555 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -85.53 -25.17 26.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.897 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.513 HD12 ' CD1' ' B' ' 1' ' ' PHE . 43.1 mt -70.64 -37.44 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -59.52 11.55 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.333 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -43.2 -30.96 2.36 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.732 2.288 . . . . 0.0 112.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -72.27 -42.0 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.41 -32.56 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.96 -31.93 68.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.472 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -68.85 -33.92 74.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.882 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -71.26 -39.69 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.437 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.65 -12.12 50.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -102.82 -24.28 13.71 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -147.95 17.85 1.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.9 m-70 42.86 46.72 4.65 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.216 0.532 . . . . 0.0 112.015 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB3' HD22 ' B' ' 22' ' ' LEU . 5.6 m -61.41 145.74 50.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.337 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -83.58 167.92 16.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.918 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.3 t -50.31 -50.94 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.729 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -30.04 66.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.8 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -77.37 -41.57 39.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' B' ' 17' ' ' SER . 3.6 mm? -70.77 -39.36 73.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -75.71 -33.13 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -80.53 -36.42 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' B' ' 26' ' ' PHE . 5.4 tmtm? -76.53 -27.57 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' B' ' 25' ' ' LYS . 96.8 m-85 -118.04 -69.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.95 85.9 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.085 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 15.3 pt -154.13 151.47 24.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.351 0.119 . . . . 0.0 111.181 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.91 164.23 2.58 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.208 1.938 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -64.67 -32.92 74.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.8 -51.12 68.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.08 -48.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.918 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.57 -33.52 75.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.72 -36.93 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.3 -32.29 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -64.22 -57.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.55 -41.85 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.57 -38.79 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.559 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -64.2 -32.56 74.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 128.65 36.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.33 -39.78 27.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.623 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -67.76 -26.22 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.699 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 m -90.39 -34.39 15.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.25 . . . . 0.0 111.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.11 -38.9 87.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -91.64 24.14 3.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.973 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.802 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' O ' HD12 ' A' ' 5' ' ' ILE . 79.8 t80 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.935 0.398 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.13 17.29 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.66 -59.9 2.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.76 -24.0 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.54 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 1' ' ' PHE . 53.7 mt -74.15 -36.05 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.589 0.233 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.98 -58.89 12.49 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.965 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -42.39 -36.27 4.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.01 2.473 . . . . 0.0 112.914 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -68.32 -36.77 79.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -64.64 -40.87 96.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.418 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -68.04 -37.07 80.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -72.01 -38.37 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.111 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.14 -11.8 51.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 13.2 ttmm -104.25 -22.74 13.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.432 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 25.9 m-85 -147.17 17.95 1.21 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 40.99 42.99 1.68 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -58.5 151.28 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -87.69 172.14 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.834 HG13 ' HB3' ' A' ' 33' ' ' ALA . 37.6 t -55.39 -47.97 77.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.54 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.97 -45.13 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.666 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' LEU . 2.8 mm? -69.74 -32.19 70.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -79.09 -39.38 33.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.05 -56.88 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 88.2 m-85 -92.12 10.29 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.37 27.56 33.22 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.346 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.2 139.81 24.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.674 0.237 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.0 167.41 2.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.098 1.866 . . . . 0.0 112.16 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -30.92 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.8 mm? -60.07 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.298 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.31 -40.48 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.834 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -66.56 -40.38 88.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.056 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.8 -42.6 89.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -58.9 -24.37 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.127 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mm -70.49 -59.38 3.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.93 -37.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -62.73 -35.5 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.1 t -66.96 -31.39 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.15 126.48 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.17 -28.56 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.33 -19.14 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.626 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.01 -30.55 11.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 0.0 111.524 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.07 -42.7 91.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.57 162.9 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.871 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.531 ' O ' HD12 ' B' ' 5' ' ' ILE . 80.1 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.15 17.42 7.03 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -87.68 -59.84 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -87.88 -23.92 23.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.542 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.531 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.6 mt -74.19 -36.22 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.584 0.231 . . . . 0.0 111.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.66 -58.92 11.98 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.4 -36.35 4.37 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.912 2.408 . . . . 0.0 112.856 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -68.04 -37.05 80.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -64.6 -40.77 96.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.74 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.1 -37.18 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -71.94 -38.23 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.12 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.24 -11.83 52.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 13.3 ttmm -104.36 -22.69 13.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 25.8 m-85 -147.01 18.0 1.24 Allowed 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 40.91 42.91 1.62 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.2 m -58.24 151.28 19.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -87.75 172.09 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.822 HG13 ' CB ' ' B' ' 33' ' ' ALA . 37.4 t -55.34 -47.94 77.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -30.38 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.91 -45.36 20.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.669 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.56 -32.2 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.9 m -79.18 -39.2 33.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.188 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -75.11 -29.49 60.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -80.14 -56.79 3.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 88.1 m-85 -92.25 10.27 30.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.38 27.63 33.5 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.348 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 pt -92.3 139.82 24.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 122.697 -0.296 . . . . 0.0 111.064 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.05 167.53 2.38 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.081 1.854 . . . . 0.0 112.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -30.94 70.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.09 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.25 -40.57 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.019 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.822 ' CB ' HG13 ' B' ' 19' ' ' VAL . . . -66.6 -40.25 88.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.982 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -58.93 -42.63 90.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.481 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -58.95 -24.23 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.4 -59.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.72 -37.58 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.72 -35.21 79.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -67.26 -31.18 71.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.23 126.47 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.56 38.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.357 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -78.42 -18.93 54.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.5 m -102.09 -30.67 11.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.677 0.275 . . . . 0.0 111.485 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -58.94 -42.84 90.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -90.56 162.99 14.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.92 179.837 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.712 0.292 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' CD2' HD22 ' B' ' 31' ' ' LEU . 81.0 mt -65.66 -18.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.619 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.84 -59.92 4.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -82.56 -20.84 35.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.2 mt -76.31 -30.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.581 0.229 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.02 -58.88 16.13 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -44.97 -31.57 5.56 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.623 2.215 . . . . 0.0 112.985 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -69.19 -35.89 76.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.174 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.54 -36.35 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.66 -45.3 94.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -64.73 -40.19 94.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.289 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.65 45.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 2.8 ttmt -101.4 -38.43 8.02 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 15.0 m-85 -131.79 18.53 4.67 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.5 m-70 42.19 42.51 2.52 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.035 0.445 . . . . 0.0 111.957 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 146.47 23.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.318 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -83.51 170.84 13.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.906 HG13 ' HB3' ' A' ' 33' ' ' ALA . 40.3 t -53.46 -51.43 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.298 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -28.67 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.18 -46.22 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.79 -33.95 74.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -76.58 -38.12 55.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.46 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -79.64 -31.42 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.36 -40.3 26.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.513 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 98.6 m-85 -104.3 -1.26 27.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.21 93.03 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.375 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.1 pt -105.91 150.14 38.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.941 0.371 . . . . 0.0 110.74 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.85 178.64 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.022 1.815 . . . . 0.0 111.969 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.71 -31.53 57.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' B' ' 2' ' ' LEU . 54.7 tp -61.33 -59.23 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.01 -46.56 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.906 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.94 -33.5 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.983 0.421 . . . . 0.0 110.501 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -65.45 -38.47 89.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.53 -31.09 65.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -70.36 -53.21 23.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.17 -38.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.16 -35.03 79.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -69.41 -31.29 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.13 123.41 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.88 -42.33 40.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.91 -30.85 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.988 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -90.53 -28.95 18.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -65.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -68.59 168.72 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.9 mttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.83 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' A' ' 31' ' ' LEU . 79.9 mt -65.57 -18.45 65.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.741 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -59.9 4.71 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -82.51 -20.81 36.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.34 -30.99 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.545 0.212 . . . . 0.0 111.044 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 -60.02 -58.93 15.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.523 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.0 Cg_exo -44.78 -31.69 5.36 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.741 2.294 . . . . 0.0 113.017 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -69.27 -35.86 76.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.11 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.38 -37.44 83.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.62 -36.39 76.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.0 t60 -64.65 -40.15 94.94 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.326 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.71 -13.74 45.99 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 2.8 ttmt -101.46 -38.42 8.01 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.456 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 14.7 m-85 -131.6 18.38 4.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.5 m-70 42.24 42.52 2.56 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -56.09 146.41 22.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -83.48 170.88 13.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.924 HG13 ' HB3' ' B' ' 33' ' ' ALA . 40.3 t -53.57 -51.29 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -28.77 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.29 -46.09 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 -34.01 74.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m -76.64 -38.26 54.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.258 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -79.67 -31.23 41.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.09 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -80.4 -40.33 26.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.43 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 98.6 m-85 -104.44 -1.18 27.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.79 36.3 93.15 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.279 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.0 pt -105.84 150.05 38.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.92 0.36 . . . . 0.0 110.82 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.86 178.51 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.091 1.861 . . . . 0.0 111.852 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.52 -31.54 57.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 2' ' ' LEU . 55.0 tp -61.41 -59.2 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.727 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 t -56.89 -46.62 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.322 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.924 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.93 -33.4 74.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.948 0.404 . . . . 0.0 110.602 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -65.5 -38.57 90.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -57.44 -31.04 65.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.4 -53.26 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.23 -38.07 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.25 -35.08 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.461 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.8 m -69.39 -31.16 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.14 123.45 20.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.94 -42.32 39.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -60.04 -30.68 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.65 -28.74 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -65.27 0.7 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.808 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -68.59 168.84 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.858 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.663 ' C ' HD12 ' A' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.467 0.175 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -59.22 -28.77 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.094 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.17 -45.29 93.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -90.4 -22.85 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.923 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 1' ' ' PHE . 18.4 mt -77.65 -34.49 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.606 0.241 . . . . 0.0 111.394 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.24 -57.27 27.85 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.888 -179.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 71.5 Cg_exo -48.11 -47.13 20.28 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.499 2.133 . . . . 0.0 112.651 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -61.24 -29.58 69.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.338 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -39.36 87.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.34 -31.12 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.755 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.52 -40.76 96.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -67.35 -40.38 85.84 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.79 -12.02 43.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -179.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 11.4 ttmm -104.77 -23.86 12.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 34.6 m-85 -145.48 13.95 1.4 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.085 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.6 m-70 43.61 45.85 5.88 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -63.55 160.47 16.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -89.84 -170.55 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 33' ' ' ALA . 34.2 t -73.3 -54.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.207 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -28.84 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.53 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.73 -44.43 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.3 mt -69.78 -38.56 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -72.51 -38.86 67.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.374 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.29 37.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.442 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -77.82 -50.39 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 96.8 m-85 -91.65 -63.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.42 70.14 0.14 Allowed Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.48 147.51 36.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.36 0.124 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.82 153.01 15.87 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.274 1.983 . . . . 0.0 111.978 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.5 -30.12 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -54.21 47.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.255 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG23 ' CZ ' ' B' ' 1' ' ' PHE . 17.3 t -64.01 -47.12 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.881 0.372 . . . . 0.0 110.649 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.932 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -56.64 -28.01 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.48 -33.27 75.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.486 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -27.52 69.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.24 -59.64 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.41 -39.68 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.406 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.37 -30.99 70.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.607 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.9 128.64 36.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.674 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -41.93 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.469 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.5 -26.08 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.402 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.2 m -92.86 -31.1 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.733 0.302 . . . . 0.0 111.11 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.08 -52.32 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -84.68 141.86 30.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.947 179.897 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.667 ' C ' HD12 ' B' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.425 0.155 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' B' ' 1' ' ' PHE . 0.3 OUTLIER -59.45 -28.57 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -60.3 -45.4 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -90.23 -22.89 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.667 HD12 ' C ' ' B' ' 1' ' ' PHE . 18.4 mt -77.77 -34.41 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-O 120.561 0.22 . . . . 0.0 111.289 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.0 OUTLIER -60.4 -57.27 27.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.866 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 74.3 Cg_exo -48.12 -47.22 20.05 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.588 2.192 . . . . 0.0 112.585 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -61.17 -29.63 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -39.42 87.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.41 -40.73 96.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -67.34 -40.57 85.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.357 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.51 -12.32 43.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 11.4 ttmm -104.71 -23.8 13.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.427 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 34.6 m-85 -145.54 14.11 1.39 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -179.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.524 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 43.43 46.12 5.59 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.4 m -63.6 160.5 16.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -89.86 -170.48 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.944 HG13 ' HB3' ' B' ' 33' ' ' ALA . 34.2 t -73.41 -54.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.232 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -28.96 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.474 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.72 -44.26 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.85 -38.68 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -72.46 -38.85 68.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.409 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -80.34 -29.21 38.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.513 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -77.89 -50.34 12.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 96.8 m-85 -91.56 -63.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.52 70.05 0.14 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 6.0 pt -144.52 147.56 36.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.479 0.18 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.98 153.06 16.3 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.081 1.854 . . . . 0.0 112.017 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.51 -30.2 68.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.06 -54.31 46.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 1' ' ' PHE . 17.6 t -64.1 -47.02 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.668 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -56.7 -27.87 59.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.307 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -66.49 -33.24 75.26 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.54 69.06 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.17 -59.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.53 -39.67 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.479 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.38 -35.77 78.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.41 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -68.25 -31.14 70.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.608 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.75 128.6 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.95 -42.0 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.32 -26.29 68.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.456 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.8 -31.09 15.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.99 -52.42 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.748 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -84.59 141.78 30.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.672 ' HE2' HD23 ' B' ' 31' ' ' LEU . 16.0 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.741 0.305 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.83 13.33 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.863 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.48 -53.59 4.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -89.52 -16.82 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.803 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 1' ' ' PHE . 70.2 mt -86.01 -35.53 9.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 111.105 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.62 -52.97 67.6 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.96 -43.45 19.89 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -61.11 -39.74 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.65 -40.58 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.613 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -64.01 -34.83 78.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -68.41 -40.72 81.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.573 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.5 t60 -68.36 -38.25 81.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.03 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.35 -11.21 49.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -105.42 -20.71 13.4 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.108 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 39.0 m-85 -148.04 15.79 1.06 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.8 m-70 41.75 45.74 3.13 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 112.101 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.21 141.61 58.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.328 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.6 m-20 -76.62 173.21 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.863 HG13 ' HB3' ' A' ' 33' ' ' ALA . 41.5 t -55.92 -51.91 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.593 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -29.61 20.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.579 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -46.28 17.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.558 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 18' ' ' ASN . 3.2 mm? -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.534 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 -36.49 58.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.07 -33.7 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 23.8 tttm -77.4 -57.87 3.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.554 -179.387 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 95.4 m-85 -89.99 7.99 34.71 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.09 46.04 62.33 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.496 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 22' ' ' LEU . 22.7 pt -112.93 151.25 43.93 Favored Pre-proline 0 CA--C 1.53 0.179 0 O-C-N 122.807 -0.231 . . . . 0.0 110.854 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HG2' HG23 ' A' ' 32' ' ' VAL . 37.7 Cg_endo -65.57 160.36 43.54 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.188 1.926 . . . . 0.0 112.22 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.16 -31.16 66.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' B' ' 1' ' ' PHE . 27.0 tp -60.84 -62.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' HG2' ' A' ' 29' ' ' PRO . 28.6 t -58.15 -41.99 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.863 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.7 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.76 -37.36 76.07 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.99 0.424 . . . . 0.0 110.478 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -27.17 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.63 -58.37 6.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.477 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.89 -39.2 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.666 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.64 -34.1 72.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.52 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.599 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.81 125.64 28.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.16 -38.25 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.478 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.47 -27.6 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.375 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.8 m -90.97 -29.9 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.55 -50.41 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 110.602 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.17 -174.4 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.13 179.789 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.669 ' HE2' HD23 ' A' ' 31' ' ' LEU . 15.8 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.76 13.26 12.86 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.797 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.39 -53.53 4.4 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.715 0.293 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -89.63 -16.75 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.784 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.567 HD12 ' O ' ' B' ' 1' ' ' PHE . 70.5 mt -86.12 -35.37 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.84 -52.9 68.56 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -45.99 -43.45 20.01 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.593 2.195 . . . . 0.0 112.485 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -61.19 -39.62 90.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.697 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -61.65 -40.63 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.652 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -64.02 -34.74 78.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.55 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -68.42 -40.81 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.655 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.5 t60 -68.26 -38.15 81.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.03 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -66.55 -11.2 51.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.7 OUTLIER -105.33 -20.99 13.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.02 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 39.5 m-85 -147.79 15.75 1.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.8 m-70 41.89 45.7 3.28 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.054 0.455 . . . . 0.0 112.053 -179.211 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 m -65.13 141.7 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.406 ' O ' HD23 ' B' ' 22' ' ' LEU . 15.5 m-20 -76.89 173.2 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.864 HG13 ' HB3' ' B' ' 33' ' ' ALA . 41.2 t -55.82 -51.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.674 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.52 19.93 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.634 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.91 -46.46 16.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' B' ' 18' ' ' ASN . 3.2 mm? -65.76 -33.14 75.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -76.12 -36.64 58.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.1 -33.68 38.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.16 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' B' ' 26' ' ' PHE . 23.7 tttm -77.32 -57.9 3.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.577 -179.408 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 95.3 m-85 -90.05 8.04 34.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 53.24 45.86 63.84 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.434 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.404 HD11 ' HB3' ' B' ' 22' ' ' LEU . 23.1 pt -112.81 151.21 43.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.676 0.238 . . . . 0.0 110.951 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' B' ' 32' ' ' VAL . 37.8 Cg_endo -65.74 160.46 43.53 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.259 1.973 . . . . 0.0 112.139 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.18 -31.13 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.672 HD23 ' HE2' ' A' ' 1' ' ' PHE . 27.1 tp -60.9 -62.57 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' B' ' 29' ' ' PRO . 28.6 t -57.92 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.864 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.83 -38.57 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -58.88 -37.33 76.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.428 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.53 -27.14 69.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.61 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.0 -39.2 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -59.64 -34.13 72.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -66.42 -29.91 70.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.376 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.74 125.7 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -38.2 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.5 -27.47 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.416 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -91.0 -29.96 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -61.53 -50.38 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.394 . . . . 0.0 110.656 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -76.2 -174.39 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.058 179.768 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 5' ' ' ILE . 9.8 t80 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.5 mm? -65.77 -23.9 66.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -57.35 -47.18 82.27 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.276 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -89.9 -30.08 18.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 1' ' ' PHE . 63.9 mt -70.01 -32.01 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.5 mt-10 -60.07 -62.0 6.79 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 79.8 Cg_exo -43.66 -34.9 5.92 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.559 2.172 . . . . 0.0 112.723 179.399 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.1 -41.12 86.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.57 -42.88 99.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.666 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.682 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -39.44 84.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -65.33 -43.99 89.2 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.759 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.84 -15.27 28.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.99 -46.09 6.03 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.04 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 23.0 m-85 -126.14 19.47 7.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.4 m-70 42.77 40.73 2.19 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 m -56.65 132.64 52.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.366 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.18 -175.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.935 HG13 ' HB3' ' A' ' 33' ' ' ALA . 30.9 t -66.39 -51.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -35.28 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.22 -48.92 48.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.24 -39.34 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -68.58 -42.11 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.42 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.38 -30.6 37.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.31 -49.13 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.411 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 94.7 m-85 -92.85 -48.69 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.21 31.96 1.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.692 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 pt -105.91 135.92 19.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 122.918 -0.166 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.89 158.68 2.89 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.249 1.966 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.17 -29.2 60.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.416 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.2 -62.16 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -60.19 -42.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.935 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -61.04 -30.8 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.022 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.33 -28.37 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.73 -40.47 97.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.64 -52.11 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.86 -38.76 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -59.81 -38.37 81.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -64.45 -32.31 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -68.88 124.31 23.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.5 -41.88 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.65 -31.04 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.052 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 m -88.22 -31.3 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.76 -53.79 41.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.677 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.41 115.72 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.848 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 5' ' ' ILE . 9.7 t80 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 2' ' ' LEU . 3.5 mm? -65.8 -23.72 66.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -57.62 -46.99 83.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.0 111.308 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.02 -30.0 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' B' ' 1' ' ' PHE . 63.8 mt -70.14 -31.87 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.819 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.5 mt-10 -60.07 -61.93 6.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 83.6 Cg_exo -43.81 -34.88 6.32 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.581 2.187 . . . . 0.0 112.63 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.05 -41.18 86.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.6 -42.92 99.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.614 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -67.33 -30.48 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.577 179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.69 -39.44 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -65.35 -43.98 89.15 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -60.88 -15.36 29.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.85 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -97.89 -46.11 6.05 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' B' ' 14' ' ' LYS . 23.1 m-85 -126.06 19.29 7.71 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -178.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.533 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.3 m-70 42.84 40.78 2.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 112.123 -179.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.2 m -56.59 132.68 52.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.314 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.27 -175.44 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.946 HG13 ' HB3' ' B' ' 33' ' ' ALA . 31.6 t -66.39 -51.72 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.33 68.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -71.24 -48.84 48.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.2 -39.4 89.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.718 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -41.94 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.457 -179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -80.26 -30.73 38.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.395 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -75.36 -49.15 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 0.0 111.497 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' B' ' 8' ' ' ALA . 94.3 m-85 -92.77 -48.66 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.281 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.1 32.08 1.6 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.644 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.0 135.91 19.37 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 122.975 -0.132 . . . . 0.0 110.799 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.92 158.59 2.99 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.448 2.099 . . . . 0.0 112.264 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.16 -29.19 60.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 -179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.31 -62.08 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -60.15 -42.29 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -61.05 -30.69 70.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -70.45 -28.36 64.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.76 -40.39 97.13 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.958 0.408 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.6 -52.31 47.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.72 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.73 -38.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -59.84 -38.29 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -64.54 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.91 124.23 23.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.34 -42.16 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.45 -31.06 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 m -88.21 -31.22 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.66 -53.8 41.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.688 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -88.52 115.73 26.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.677 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.733 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' HE2' HD23 ' B' ' 31' ' ' LEU . 24.6 t80 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.33 -22.59 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.635 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.11 -45.78 90.0 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -90.42 -27.74 19.09 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' NE2' ' A' ' 9' ' ' GLN . 2.8 mp -76.57 -27.04 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.874 -0.148 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 1.1 mt-10 -63.34 -58.99 13.23 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.409 179.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 98.5 Cg_exo -43.64 -43.89 11.3 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.743 2.295 . . . . 0.0 112.92 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -62.85 -35.75 80.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' A' ' 5' ' ' ILE . 10.3 mt-30 -66.09 -35.43 80.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.712 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.19 -32.71 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.75 -47.04 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.678 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.7 t60 -63.49 -40.2 96.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.408 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.98 -12.74 40.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 15' ' ' TYR . 3.6 ttmt -106.86 -20.12 13.43 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 14' ' ' LYS . 50.3 m-85 -147.44 15.95 1.14 Allowed 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.2 m-70 41.38 49.58 3.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.147 0.498 . . . . 0.0 112.264 -179.441 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -67.35 147.44 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.35 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -81.95 172.26 13.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.887 HG13 ' HB3' ' A' ' 33' ' ' ALA . 36.7 t -55.79 -51.37 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -28.21 29.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.94 -50.55 10.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.2 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 28' ' ' ILE . 3.5 mm? -62.41 -32.53 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.5 p -76.25 -48.79 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -74.94 -25.78 59.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.669 -179.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 1.7 tmtm? -80.23 -49.28 11.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -96.89 -31.73 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.014 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.07 27.06 7.55 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.469 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 22' ' ' LEU . 18.8 pt -98.39 143.95 27.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 122.994 -0.121 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.33 160.89 18.23 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.217 1.945 . . . . 0.0 112.103 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.11 -64.03 1.09 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.33 -38.44 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.887 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -64.16 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -60.73 -41.96 96.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.84 -30.68 64.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.92 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.08 -36.47 73.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -68.33 -34.54 76.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.5 -32.02 73.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.88 127.16 29.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -40.89 26.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.57 -27.76 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.264 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -92.06 -28.22 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -39.22 88.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.97 154.64 31.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.871 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.433 ' O ' HD13 ' B' ' 5' ' ' ILE . 24.4 t80 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.554 0.216 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.31 -22.52 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.11 -46.01 89.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -90.27 -27.74 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.472 HG22 ' NE2' ' B' ' 9' ' ' GLN . 2.7 mp -76.6 -26.92 16.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 121.196 -0.202 . . . . 0.0 110.797 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 1.1 mt-10 -63.44 -58.89 13.55 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.375 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 95.0 Cg_exo -43.64 -44.0 11.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -62.75 -35.69 80.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.472 ' NE2' HG22 ' B' ' 5' ' ' ILE . 10.1 mt-30 -66.17 -35.52 80.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.09 -32.72 72.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.94 -46.87 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.649 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.6 t60 -63.39 -40.35 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.92 -12.87 41.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' CE2' ' B' ' 15' ' ' TYR . 3.6 ttmt -106.73 -20.22 13.41 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HD2' ' B' ' 14' ' ' LYS . 50.0 m-85 -147.41 15.99 1.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.296 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.2 m-70 41.44 49.58 3.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.233 0.539 . . . . 0.0 112.243 -179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -67.22 147.27 53.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.506 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.413 ' O ' HD23 ' B' ' 22' ' ' LEU . 7.2 m-20 -81.97 172.2 13.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.893 HG13 ' HB3' ' B' ' 33' ' ' ALA . 35.0 t -55.56 -51.57 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.297 179.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.31 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.06 -50.45 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.225 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' B' ' 28' ' ' ILE . 3.5 mm? -62.44 -32.55 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.66 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 79.6 p -76.14 -48.98 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.86 -25.69 59.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.679 -179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' HD2' ' CE2' ' B' ' 26' ' ' PHE . 1.7 tmtm? -80.36 -49.42 11.52 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.45 ' CE2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -96.79 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.081 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.17 26.94 7.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.451 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' B' ' 22' ' ' LEU . 18.6 pt -98.37 143.94 27.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.375 0.131 . . . . 0.0 111.017 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.37 160.93 18.24 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.15 1.9 . . . . 0.0 111.99 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -58.39 -29.45 66.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 1' ' ' PHE . 19.4 tp -61.19 -64.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.1 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.28 -38.53 75.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -64.16 -38.05 89.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -60.75 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -56.69 -30.7 63.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.27 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -72.36 -50.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.03 -36.39 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -68.31 -34.74 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.7 m -65.24 -32.21 73.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.76 127.13 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.08 -40.95 26.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.315 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.19 -28.09 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -39.25 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.95 154.76 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.784 179.906 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.644 ' HE2' HD23 ' B' ' 31' ' ' LEU . 13.1 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.89 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.101 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.87 -57.7 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.728 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -87.83 -24.56 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 1' ' ' PHE . 55.9 mt -74.95 -35.12 34.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.171 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.62 -58.54 16.55 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -43.81 -38.64 9.9 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.838 2.358 . . . . 0.0 112.869 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -68.82 -31.09 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.72 -37.99 79.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -33.07 73.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -65.84 -37.33 85.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.0 t60 -69.05 -40.46 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.535 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.26 -11.71 44.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -107.06 -18.9 13.78 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.88 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 67.3 m-85 -149.36 17.23 0.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.9 m-70 39.11 38.1 0.29 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.39 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -56.55 152.3 12.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.8 -177.91 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.979 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.988 HG13 ' HB3' ' A' ' 33' ' ' ALA . 33.4 t -67.62 -46.67 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.028 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.7 -42.44 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.98 -47.97 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.68 -39.85 88.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 t -68.52 -38.96 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.37 -27.97 38.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 26' ' ' PHE . 8.1 tttm -80.06 -49.53 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 111.379 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.04 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.986 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 36.71 24.29 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.246 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.1 pt -105.28 147.49 34.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.401 0.143 . . . . 0.0 111.098 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.38 149.1 24.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.115 1.877 . . . . 0.0 111.925 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -55.19 -26.16 37.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD23 ' HE2' ' B' ' 1' ' ' PHE . 14.0 tp -71.1 -49.42 44.65 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 110.479 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 12.0 t -59.5 -47.24 91.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.233 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.988 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.17 -30.1 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.291 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.25 -30.66 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -35.25 72.25 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 111.354 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.95 -53.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.76 -37.69 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -63.0 -28.82 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -35.04 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.8 123.85 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -36.45 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.91 -28.91 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.84 -27.88 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.67 -65.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -81.41 155.28 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.618 ' HE2' HD23 ' A' ' 31' ' ' LEU . 13.3 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.951 0.405 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.3 18.81 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.104 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.69 -57.75 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.944 0.402 . . . . 0.0 110.716 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -87.96 -24.55 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.093 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.519 HD12 ' O ' ' B' ' 1' ' ' PHE . 55.8 mt -74.78 -35.42 36.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.119 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -58.47 16.8 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -43.86 -38.63 10.04 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.659 2.239 . . . . 0.0 112.937 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -68.92 -31.06 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -68.58 -37.83 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -33.05 73.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -65.95 -37.23 85.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.0 t60 -69.06 -40.33 78.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.56 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.33 -11.68 44.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -107.18 -18.68 13.82 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 65.5 m-85 -149.57 17.3 0.91 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 39.03 38.06 0.27 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.981 0.512 . . . . 0.0 112.378 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -56.45 152.14 12.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.318 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -82.69 -177.96 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.0 t -67.48 -46.84 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -55.59 -42.5 74.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.392 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.96 -47.97 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.69 -39.91 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -38.89 81.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -80.33 -27.98 38.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' B' ' 26' ' ' PHE . 8.1 tttm -79.98 -49.56 11.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.433 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' B' ' 25' ' ' LYS . 98.1 m-85 -92.47 -20.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.866 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.0 36.82 23.9 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.174 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 27.3 pt -105.41 147.41 34.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.353 0.12 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.45 149.09 24.46 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.101 1.868 . . . . 0.0 111.932 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -54.9 -26.44 35.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.491 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.644 HD23 ' HE2' ' A' ' 1' ' ' PHE . 14.3 tp -70.96 -49.4 45.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.925 0.393 . . . . 0.0 110.553 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 11.9 t -59.66 -47.1 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 1.041 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.03 -30.14 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.934 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -35.34 72.55 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.88 -53.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.51 -37.9 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.94 -28.76 70.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -35.19 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.282 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.7 t -59.73 123.8 18.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 -36.46 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.85 -29.0 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 m -90.74 -27.77 18.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.83 -65.05 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.773 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -81.42 155.3 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.809 179.954 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 5' ' ' ILE . 69.6 t80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -90.16 17.52 6.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.87 -58.04 2.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -90.16 -26.5 20.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 1' ' ' PHE . 52.2 mt -71.36 -37.07 63.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 -57.15 -60.24 10.23 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.985 -179.787 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 80.7 Cg_exo -45.13 -35.19 10.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.402 2.068 . . . . 0.0 112.608 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -71.36 -35.35 71.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.741 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 5' ' ' ILE . 2.6 mt-30 -66.11 -38.65 88.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.78 -37.64 86.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.443 179.524 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -61.94 -44.53 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.563 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.9 t60 -63.42 -37.46 87.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.394 . . . . 0.0 110.175 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.91 -12.08 51.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -105.97 -21.59 13.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -145.38 13.01 1.38 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.4 m-70 42.92 48.35 5.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.206 0.527 . . . . 0.0 111.847 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 155.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.341 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -90.12 169.4 11.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.981 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.5 t -53.18 -52.88 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.575 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -27.75 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.93 -45.6 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.55 -33.44 72.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.06 -39.69 40.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.408 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -80.38 -27.2 38.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -80.22 -43.22 21.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.62 0.248 . . . . 0.0 111.64 -179.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 93.6 m-85 -99.1 -35.24 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.49 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.8 39.66 3.32 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.567 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.83 144.19 29.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.54 168.18 0.33 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.309 2.006 . . . . 0.0 112.333 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.59 -34.44 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.704 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.08 -46.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.981 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.97 -33.55 75.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -61.32 -34.88 75.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.82 -31.31 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.645 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 9' ' ' GLN . 46.1 mt -67.87 -56.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.808 179.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.38 -40.06 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -60.52 -31.35 70.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.728 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.83 -34.61 75.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.4 123.19 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -29.66 38.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.408 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -25.35 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.293 -179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 m -93.21 -32.21 14.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.342 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -53.79 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.86 177.48 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.766 179.728 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.514 ' O ' HD12 ' B' ' 5' ' ' ILE . 69.8 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.646 0.26 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -90.32 17.55 7.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.74 -58.17 2.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 110.952 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -90.12 -26.46 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.389 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.514 HD12 ' O ' ' B' ' 1' ' ' PHE . 52.2 mt -71.35 -37.03 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.257 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.7 mt-10 -57.26 -60.11 10.7 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.025 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 82.4 Cg_exo -45.06 -35.28 10.24 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.454 2.103 . . . . 0.0 112.682 179.554 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -71.43 -35.13 70.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.812 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.452 ' NE2' HG22 ' B' ' 5' ' ' ILE . 2.5 mt-30 -66.32 -38.52 87.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.513 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.83 -37.71 86.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.334 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -61.84 -44.58 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.663 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.7 t60 -63.33 -37.55 87.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.287 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -12.04 51.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -106.02 -21.54 13.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -145.4 13.07 1.38 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.5 m-70 42.91 48.23 5.01 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.142 0.496 . . . . 0.0 111.967 -179.325 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.5 155.87 31.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.525 -179.598 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -90.04 169.43 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.991 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -53.31 -52.8 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.537 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -27.75 39.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.926 0.394 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -79.74 -45.59 18.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.3 mm? -69.74 -33.41 72.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.3 t -78.12 -39.64 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.387 -179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -80.45 -27.06 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -80.24 -43.21 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 111.648 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 93.7 m-85 -99.17 -35.25 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.473 -179.245 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.9 39.55 3.32 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 pt -109.75 144.21 29.45 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.486 0.184 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.6 168.15 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.245 1.963 . . . . 0.0 112.396 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -69.51 -34.35 74.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -35.1 78.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.12 -46.82 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.991 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.84 -33.62 76.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -61.35 -34.78 75.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.094 0.473 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -62.87 -31.4 72.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' B' ' 9' ' ' GLN . 45.7 mt -67.79 -56.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 179.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.43 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.51 -31.29 70.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -68.8 -34.61 75.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.48 123.25 17.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -29.67 38.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.328 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -25.23 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.1 m -93.35 -32.32 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.06 -53.71 18.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.95 177.54 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.836 179.663 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.803 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.803 HD23 ' CZ ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -81.46 5.82 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.113 -179.865 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.65 -49.01 6.72 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -90.15 -21.28 22.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.912 -179.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 1' ' ' PHE . 78.0 mt -79.6 -36.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.466 0.174 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -56.03 37.94 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 121.323 -0.151 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -48.4 -37.01 31.96 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.455 2.103 . . . . 0.0 112.551 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.94 -36.57 80.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -72.1 -36.18 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.16 -37.57 87.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 12.2 t60 -66.8 -40.81 88.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.678 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.3 -12.88 46.11 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.89 -25.9 13.32 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -144.53 14.06 1.57 Allowed 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 95.8 m-70 44.22 39.54 3.03 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.854 0.359 . . . . 0.0 111.931 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.26 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.136 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.19 -174.69 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.983 HG13 ' HB3' ' A' ' 33' ' ' ALA . 38.3 t -67.1 -52.83 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -39.05 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.6 -50.51 62.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.917 0.389 . . . . 0.0 110.753 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.83 -40.98 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.1 m -68.5 -39.42 81.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -80.34 -28.39 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 2.1 tmtm? -80.09 -45.38 18.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 96.6 m-85 -95.29 -50.48 5.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.422 -179.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.23 41.14 0.91 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.654 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -111.32 146.49 34.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.212 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.7 156.98 8.15 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.221 1.947 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.75 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 31' ' ' LEU . 6.2 tt -63.7 -51.99 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.83 -44.99 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.983 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.98 -29.0 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -71.61 -29.43 64.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -63.68 -33.56 75.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.56 -56.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.43 -38.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.731 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.27 -32.55 70.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -30.75 65.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.66 124.45 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.92 -38.66 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.9 m -95.88 -35.2 11.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.96 -44.28 96.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.32 124.33 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.837 -179.96 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.804 ' CZ ' HD23 ' B' ' 2' ' ' LEU . 2.7 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.851 0.358 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.804 HD23 ' CZ ' ' B' ' 1' ' ' PHE . 0.2 OUTLIER -81.17 5.89 15.53 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.66 -48.87 6.8 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 111.51 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -90.17 -21.31 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.854 -179.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.508 HD12 ' O ' ' B' ' 1' ' ' PHE . 77.7 mt -79.53 -36.6 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.491 0.186 . . . . 0.0 111.285 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -55.95 38.64 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.51 -37.03 32.88 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.397 2.064 . . . . 0.0 112.556 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.99 -36.51 80.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.33 -33.5 75.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -71.95 -36.3 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.91 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 12.2 t60 -66.9 -40.7 87.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.664 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.24 -13.01 46.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -102.81 -26.11 13.26 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -144.33 14.13 1.62 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -178.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 95.7 m-70 44.2 39.44 2.94 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -56.17 152.19 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.16 -174.63 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.962 HG13 ' HB3' ' B' ' 33' ' ' ALA . 38.3 t -67.16 -52.73 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -38.79 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.423 -179.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.85 -50.48 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.7 -41.17 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.833 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.7 m -68.4 -39.42 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -80.31 -28.28 38.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' B' ' 26' ' ' PHE . 2.2 tmtm? -80.09 -45.55 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.286 -179.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' B' ' 25' ' ' LYS . 96.6 m-85 -95.11 -50.57 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.452 -179.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.16 41.26 0.91 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.644 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 7.9 pt -111.41 146.42 34.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.65 157.09 7.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.275 1.984 . . . . 0.0 112.103 179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.88 -34.03 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.49 HD23 ' C ' ' B' ' 31' ' ' LEU . 6.2 tt -63.59 -51.92 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.88 -44.99 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.962 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.08 -28.76 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.087 179.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -71.66 -29.51 64.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -63.72 -33.38 75.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.57 -56.35 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.6 t -60.5 -38.72 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -59.28 -32.69 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -71.84 -30.91 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.66 124.51 22.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -38.73 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -25.71 68.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.1 m -95.82 -35.36 11.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.98 -44.3 96.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.36 124.49 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.895 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.495 ' O ' HD12 ' A' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.15 -21.49 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.648 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -52.76 -57.45 10.12 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.455 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -87.5 -20.47 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 1' ' ' PHE . 71.6 mt -79.56 -33.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.278 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.29 -56.25 37.93 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.863 179.867 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 6' ' ' GLU . 89.0 Cg_exo -45.98 -35.64 14.6 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.506 2.137 . . . . 0.0 112.391 179.476 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -72.1 -32.08 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -69.42 -42.51 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.551 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.73 -45.7 74.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.6 t60 -62.99 -40.51 97.98 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.996 0.427 . . . . 0.0 110.237 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.29 -13.2 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.084 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 15' ' ' TYR . 2.1 ptpt -113.24 -18.18 12.15 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 14' ' ' LYS . 37.6 m-85 -137.37 3.32 2.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.043 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.0 m-70 41.82 34.82 0.45 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.748 0.419 . . . . 0.0 112.006 -178.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -57.86 167.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.366 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -90.12 -166.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.963 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.915 HG13 ' HB3' ' A' ' 33' ' ' ALA . 24.7 t -75.9 -51.35 20.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -55.14 -36.93 66.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.355 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -45.14 69.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.67 -39.39 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 110.788 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.64 -37.42 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.176 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -80.29 -30.16 38.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.198 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -78.84 -42.22 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.266 -179.46 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 95.6 m-85 -98.1 -50.9 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.386 -179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.05 40.88 0.94 Allowed Glycine 0 C--N 1.329 0.194 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.767 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.92 147.03 36.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.421 0.153 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.94 166.44 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.204 1.936 . . . . 0.0 112.219 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -33.96 76.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.12 -49.18 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.54 -48.85 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.915 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -63.73 -34.21 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -69.31 -29.9 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.34 -38.57 87.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.09 -53.66 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.12 -39.92 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.64 -29.41 70.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -74.47 -34.02 63.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.99 125.89 25.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.1 -45.52 23.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -28.73 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.326 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -91.37 -27.32 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.403 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.49 -47.93 74.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -86.68 131.71 34.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.499 ' O ' HD12 ' B' ' 5' ' ' ILE . 25.7 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.22 -21.54 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.544 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.87 -57.35 10.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -87.5 -20.53 26.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.499 HD12 ' O ' ' B' ' 1' ' ' PHE . 71.3 mt -79.45 -33.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.518 0.199 . . . . 0.0 111.289 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HD3' ' B' ' 7' ' ' PRO . 0.7 OUTLIER -59.37 -56.22 38.16 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.225 -0.19 . . . . 0.0 110.719 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' B' ' 6' ' ' GLU . 88.9 Cg_exo -45.97 -35.67 14.62 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.473 2.115 . . . . 0.0 112.487 179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -72.01 -32.1 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.816 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.57 -42.39 74.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.608 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.25 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.78 -45.75 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.784 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.6 t60 -63.09 -40.37 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.18 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.17 -13.34 36.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' B' ' 15' ' ' TYR . 2.0 ptpt -113.27 -18.19 12.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 38.0 m-85 -137.46 3.31 2.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.041 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.0 m-70 41.91 34.7 0.46 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.8 m -57.75 167.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.335 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -90.11 -167.1 1.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.92 HG13 ' HB3' ' B' ' 33' ' ' ALA . 24.3 t -75.77 -51.41 20.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.303 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -54.92 -36.99 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.434 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -45.28 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.62 -39.41 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -72.7 -37.39 67.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -80.38 -30.04 37.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.229 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -78.86 -42.23 27.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.359 -179.585 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 95.5 m-85 -98.12 -50.85 4.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.343 -179.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.09 40.77 0.95 Allowed Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.64 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.85 147.16 36.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 O-C-N 122.904 -0.174 . . . . 0.0 111.017 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.05 166.48 1.54 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.193 1.929 . . . . 0.0 112.244 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.17 -49.27 76.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -63.38 -48.85 85.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.92 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -63.7 -34.19 77.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -69.42 -29.86 67.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -66.45 -38.48 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -65.22 -53.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.793 179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.07 -39.98 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -62.66 -29.55 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m -74.35 -34.01 63.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.018 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.09 126.03 25.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -45.44 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -28.68 64.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.308 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 18.6 m -91.44 -27.18 18.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.61 -47.97 73.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 110.746 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -86.7 131.73 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.884 179.957 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' CD1' ' CD1' ' A' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.688 0.28 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -26.01 10.3 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.493 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -74.53 -29.07 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.199 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -91.68 -41.58 10.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.624 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.558 HG22 HE21 ' A' ' 9' ' ' GLN . 3.6 mp -67.56 -31.01 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.307 -179.355 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -61.08 -61.93 7.0 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.538 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 93.5 Cg_exo -42.33 -47.79 7.03 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.816 2.344 . . . . 0.0 112.987 179.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -64.05 -33.31 75.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.558 HE21 HG22 ' A' ' 5' ' ' ILE . 9.8 mt-30 -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.765 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.725 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.0 -38.58 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.2 t60 -66.14 -41.8 89.94 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.48 -11.47 43.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.25 -23.11 13.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -150.34 18.1 0.84 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 93.3 m-70 40.72 45.37 2.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.643 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.42 149.27 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -81.21 -168.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.956 HG13 ' HB3' ' A' ' 33' ' ' ALA . 32.6 t -71.48 -57.25 7.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.59 -38.28 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.72 -45.62 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.784 179.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.19 -41.5 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -69.76 -34.37 73.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -80.3 -31.84 38.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.308 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -40.4 28.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.677 -179.459 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 8' ' ' ALA . 97.4 m-85 -100.56 -55.47 2.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.556 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.07 0.92 Allowed Glycine 0 N--CA 1.455 -0.078 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.655 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.7 pt -104.06 143.95 27.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.929 -0.159 . . . . 0.0 110.975 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.33 151.06 24.04 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.175 1.916 . . . . 0.0 111.987 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.32 -26.04 50.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.452 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.97 7.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.738 0.304 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -60.84 -43.19 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.956 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.06 -28.29 67.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -26.84 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.309 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.29 -40.21 81.83 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -62.48 -48.86 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.66 -38.57 81.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.874 0.368 . . . . 0.0 110.495 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -65.82 -37.04 85.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -67.55 -32.11 72.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 t -63.22 122.27 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.57 -45.39 59.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.43 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.07 -29.88 65.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.03 -23.27 22.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.36 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.02 -53.93 52.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.697 0.284 . . . . 0.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -77.52 149.08 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.876 -179.988 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.426 ' CD1' ' CD1' ' B' ' 5' ' ' ILE . 77.5 t80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.608 0.242 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -25.95 10.02 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.488 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.61 -29.09 61.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -91.61 -41.62 10.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.616 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.549 HG22 HE21 ' B' ' 9' ' ' GLN . 3.6 mp -67.49 -31.23 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.209 -179.331 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 0.3 OUTLIER -60.84 -62.12 6.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.553 179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 94.5 Cg_exo -42.25 -47.71 6.95 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.858 2.372 . . . . 0.0 113.038 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.14 75.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.11 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.549 HE21 HG22 ' B' ' 5' ' ' ILE . 9.7 mt-30 -68.58 -37.76 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.673 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -35.69 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.707 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.07 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.2 t60 -66.33 -41.74 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.46 -11.32 42.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -104.44 -23.1 13.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -150.37 18.14 0.84 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.515 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 93.2 m-70 40.79 45.33 2.08 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -59.5 149.23 30.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.08 -168.12 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.961 HG13 ' HB3' ' B' ' 33' ' ' ALA . 33.2 t -71.48 -57.33 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -55.41 -38.44 68.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -64.67 -45.51 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.23 -41.52 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.015 0.436 . . . . 0.0 110.459 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.3 t -69.76 -34.36 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -80.37 -31.77 37.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.247 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -40.54 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.529 -179.437 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.58 -55.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.556 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.93 35.83 0.93 Allowed Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.639 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -103.94 143.85 27.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.335 0.112 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.15 23.48 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.16 1.907 . . . . 0.0 111.992 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.544 -179.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -57.96 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.058 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.78 -43.21 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.961 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.95 -28.3 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -26.78 60.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.42 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.33 -40.31 81.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.974 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.22 -48.95 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.74 -38.56 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -65.71 -37.08 85.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -67.46 -32.23 72.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.11 122.25 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.785 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.51 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.466 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.01 -29.9 65.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.88 -23.39 22.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.78 -54.01 51.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.911 0.386 . . . . 0.0 110.8 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -77.42 149.06 35.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.818 179.997 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.776 ' CZ ' HG22 ' B' ' 32' ' ' VAL . 32.1 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.774 0.321 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 mt -88.21 14.61 8.96 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.009 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.39 -58.74 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.775 0.322 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.26 -23.67 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 1' ' ' PHE . 60.6 mt -72.56 -35.19 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 0.0 111.232 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -59.9 11.17 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.003 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -42.82 -40.0 7.85 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.649 2.233 . . . . 0.0 112.953 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.34 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' HD12 ' A' ' 36' ' ' ILE . 3.5 mt-30 -64.78 -33.17 75.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.72 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -31.01 63.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.22 -44.49 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 11.4 t60 -61.94 -39.02 90.67 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.26 -13.45 38.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CG ' ' CD2' ' A' ' 15' ' ' TYR . 1.3 ptmt -112.13 -20.21 12.0 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CD2' ' CG ' ' A' ' 14' ' ' LYS . 52.2 m-85 -134.08 1.49 3.25 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 96.5 m-70 42.79 31.27 0.3 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.949 0.404 . . . . 0.0 111.778 -178.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.6 m -55.36 164.96 0.85 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.667 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.06 -168.32 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.819 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.952 HG13 ' HB3' ' A' ' 33' ' ' ALA . 29.6 t -75.09 -53.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.3 -32.0 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.45 -49.44 59.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.89 -42.99 84.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.371 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -63.38 -36.3 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -80.49 -29.85 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.12 -40.98 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.02 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.37 -29.9 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.7 36.04 6.26 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.4 144.76 29.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.209 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -50.93 153.99 7.82 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.339 2.026 . . . . 0.0 112.208 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -57.15 -31.71 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.75 -54.89 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' B' ' 1' ' ' PHE . 18.0 t -56.68 -50.53 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.578 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.952 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -60.31 -32.93 71.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.71 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.53 -36.76 85.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -66.74 -25.81 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.566 179.217 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 9' ' ' GLN . 28.8 mm -66.0 -55.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.7 -39.23 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -60.64 -31.43 70.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.695 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -72.94 -32.39 65.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.53 128.23 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.26 -44.89 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.313 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -28.22 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.6 m -91.73 -29.23 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.28 -50.26 54.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.788 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.38 131.63 51.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.939 179.898 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 32' ' ' VAL . 32.0 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.84 0.352 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.05 14.44 9.07 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.017 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.46 -58.66 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.735 0.303 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -90.32 -23.67 21.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.595 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.511 HD12 ' O ' ' B' ' 1' ' ' PHE . 60.2 mt -72.45 -35.21 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -59.82 11.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.952 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -42.96 -39.92 8.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.73 2.286 . . . . 0.0 112.907 179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.21 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.8 -33.12 75.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -31.1 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.806 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.09 -44.62 75.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 11.5 t60 -61.91 -39.14 90.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.155 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.13 -13.53 37.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 15' ' ' TYR . 1.3 ptmt -112.14 -20.18 12.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' B' ' 14' ' ' LYS . 51.8 m-85 -134.19 1.44 3.22 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.518 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 96.4 m-70 42.91 31.38 0.32 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.823 0.344 . . . . 0.0 111.758 -178.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 164.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.65 -179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -85.1 -168.3 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.945 HG13 ' HB3' ' B' ' 33' ' ' ALA . 28.2 t -74.9 -53.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.21 -32.07 61.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.197 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.41 -49.46 59.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.9 -42.88 84.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.509 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 23.5 m -63.48 -36.06 82.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -80.62 -29.87 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.16 -40.88 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -104.49 -29.77 10.47 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.01 6.28 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.2 pt -104.39 144.68 29.19 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 122.857 -0.202 . . . . 0.0 111.275 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.81 154.05 7.47 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.326 2.017 . . . . 0.0 112.278 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.33 -31.61 65.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.967 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.73 -54.91 36.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.776 HG22 ' CZ ' ' A' ' 1' ' ' PHE . 18.3 t -56.86 -50.6 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.5 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.945 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -60.14 -32.84 71.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.65 -36.56 84.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -66.87 -25.79 66.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.479 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.89 -55.24 20.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.6 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.61 -39.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.594 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.54 -31.62 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.703 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 29.2 t -72.72 -32.49 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.59 128.34 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.99 18.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.269 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -28.16 64.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.266 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.78 -29.35 16.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.36 -50.22 54.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.39 131.68 51.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 5' ' ' ILE . 37.3 t80 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.767 0.318 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.58 18.13 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.942 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.33 -60.16 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.32 -26.31 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 1' ' ' PHE . 51.5 mt -71.44 -36.16 59.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.229 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 4.8 mt-10 -56.94 -60.14 10.43 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 81.1 Cg_exo -44.15 -37.14 9.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.576 2.184 . . . . 0.0 112.681 179.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . . . -67.18 -36.8 82.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.34 -35.86 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -74.38 -31.7 62.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.29 -37.11 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 16' ' ' HIS . 10.8 t60 -67.44 -40.87 85.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 110.672 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.3 -12.2 49.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -102.56 -25.02 13.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -147.28 14.77 1.13 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 12' ' ' HIS . 94.7 m-70 43.65 39.13 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.587 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.16 144.54 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.905 HG13 ' HB3' ' A' ' 33' ' ' ALA . 25.0 t -75.13 -47.97 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -41.51 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -63.69 -44.73 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.69 -40.81 69.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.804 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -71.47 -33.75 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.978 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.47 -30.59 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 4.6 tmtm? -79.7 -44.83 20.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.598 -179.289 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 25' ' ' LYS . 98.2 m-85 -96.56 -44.37 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.64 25.73 5.07 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.66 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.0 139.02 21.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.552 0.176 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.2 158.4 7.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.124 1.883 . . . . 0.0 112.121 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -57.26 -28.27 62.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.287 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.71 -43.58 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.905 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -65.89 -34.11 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -67.27 -30.69 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.36 -33.85 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.4 -53.88 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 t -60.75 -40.26 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.11 -31.82 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 t -70.6 -31.59 68.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.71 132.54 51.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 -179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.21 -51.33 9.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.63 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -56.56 -30.51 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 m -86.61 -29.74 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.78 -44.94 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.75 123.01 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' B' ' 5' ' ' ILE . 37.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 mt -90.58 18.22 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.937 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -87.23 -60.13 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.758 0.313 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -87.42 -26.15 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.557 HD12 ' CD1' ' B' ' 1' ' ' PHE . 51.6 mt -71.47 -36.19 59.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.268 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.41 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 4.9 mt-10 -56.83 -60.22 10.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.987 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 81.2 Cg_exo -44.19 -37.09 9.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.465 2.11 . . . . 0.0 112.734 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 26' ' ' PHE . . . -67.27 -36.63 81.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.43 -35.86 82.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.53 -31.6 62.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.428 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.28 -37.13 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' HA ' ' B' ' 16' ' ' HIS . 10.9 t60 -67.53 -40.9 85.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.0 110.59 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.24 -12.28 49.79 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -102.41 -25.16 13.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -147.24 14.85 1.14 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' HA ' ' CD2' ' B' ' 12' ' ' HIS . 94.7 m-70 43.53 39.17 2.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -58.15 144.49 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -72.06 -168.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.921 HG13 ' HB3' ' B' ' 33' ' ' ALA . 25.1 t -75.05 -47.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -41.56 83.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.235 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.66 -44.59 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.93 -40.83 68.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -71.18 -33.85 70.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -80.5 -30.67 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' B' ' 26' ' ' PHE . 4.6 tmtm? -79.64 -44.86 20.15 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.701 -179.347 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' B' ' 25' ' ' LYS . 98.2 m-85 -96.5 -44.47 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.68 25.85 5.01 Favored Glycine 0 N--CA 1.454 -0.15 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.652 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 pt -95.04 139.16 21.97 Favored Pre-proline 0 C--N 1.33 -0.256 0 O-C-N 122.904 -0.174 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.38 158.36 7.62 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.121 1.881 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.25 -28.28 62.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.94 -58.78 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.69 -43.57 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.284 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.921 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -65.89 -34.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.38 -30.59 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -67.29 -34.02 76.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -67.15 -54.1 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.69 -40.22 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.17 -31.74 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.4 t -70.75 -31.38 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.84 132.5 51.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -51.24 9.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.551 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -56.56 -30.7 63.42 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.275 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 20.3 m -86.5 -29.64 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.93 -45.01 75.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 122.88 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.726 0.298 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -19.93 64.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.56 -179.892 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.58 -41.39 65.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.644 0.259 . . . . 0.0 111.37 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -26.98 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.592 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 1' ' ' PHE . 64.1 mt -74.28 -30.69 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 mt-10 -58.76 -60.35 10.73 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.671 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 90.3 Cg_exo -42.76 -50.92 5.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.722 2.282 . . . . 0.0 112.945 179.639 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -59.94 -28.9 68.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -43.15 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -179.787 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.54 -32.25 72.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.42 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' HIS . 12.5 t60 -64.83 -62.7 1.41 Allowed 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -41.18 -31.18 0.19 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 15' ' ' TYR . 1.9 ttmt -83.32 -22.92 32.78 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.251 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 14' ' ' LYS . 50.8 m-85 -149.3 15.79 0.91 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' HIS . 93.1 m-70 38.15 48.92 1.18 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.266 0.626 . . . . 0.0 112.491 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -69.93 167.54 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.225 -179.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.86 -173.9 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG13 ' HB3' ' A' ' 33' ' ' ALA . 21.8 t -74.66 -45.85 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.455 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.45 -41.62 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.365 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.27 -51.22 64.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.46 -40.41 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -67.15 -41.03 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.343 -179.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -80.02 -26.32 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.638 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -49.65 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.657 -179.408 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 96.6 m-85 -94.42 -37.52 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.47 -179.325 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.46 25.09 6.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.692 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.16 149.57 36.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 122.865 -0.197 . . . . 0.0 110.768 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.27 164.13 13.33 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.015 1.81 . . . . 0.0 111.803 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -25.88 68.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -179.648 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.97 -62.28 2.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.627 0.251 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.92 -48.22 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.953 ' HB3' HG13 ' A' ' 19' ' ' VAL . . . -59.45 -30.59 68.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.35 -38.99 74.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.549 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -61.5 -33.51 73.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.65 -52.8 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.803 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.04 -39.03 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.747 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -64.59 -33.03 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.658 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.23 -31.69 69.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -62.03 120.5 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.17 67.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.529 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.3 -26.39 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 m -93.8 -24.91 17.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.551 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.41 -59.13 3.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.343 . . . . 0.0 110.979 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -73.62 160.04 32.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.886 179.997 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' B' ' 5' ' ' ILE . 77.7 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -20.01 64.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.672 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.65 -41.39 65.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.618 0.246 . . . . 0.0 111.339 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -27.06 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.556 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' B' ' 1' ' ' PHE . 63.6 mt -74.28 -30.77 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.6 0.238 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' CB ' ' HD3' ' B' ' 7' ' ' PRO . 1.4 mt-10 -58.7 -60.43 10.43 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.592 179.679 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' B' ' 6' ' ' GLU . 92.4 Cg_exo -42.79 -50.74 5.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.685 2.257 . . . . 0.0 113.054 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' B' ' 26' ' ' PHE . . . -60.08 -28.86 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.466 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -43.11 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.45 -32.33 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.51 -39.62 91.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.549 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' B' ' 16' ' ' HIS . 12.6 t60 -64.72 -62.77 1.37 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -40.97 -31.34 0.17 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.352 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' B' ' 15' ' ' TYR . 1.9 ttmt -83.21 -23.19 32.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.274 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' B' ' 14' ' ' LYS . 50.0 m-85 -149.02 15.79 0.94 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.861 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' B' ' 12' ' ' HIS . 93.4 m-70 37.96 49.09 1.13 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.311 0.644 . . . . 0.0 112.449 -179.048 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -69.98 167.72 16.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.218 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -89.0 -173.85 4.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.965 HG13 ' HB3' ' B' ' 33' ' ' ALA . 21.8 t -74.82 -45.87 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 -179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.364 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.36 -51.05 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.6 -40.34 94.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.7 t -67.13 -41.14 86.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.348 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -79.93 -26.29 40.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.647 -179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.44 -49.75 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.726 0.298 . . . . 0.0 111.64 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' B' ' 8' ' ' ALA . 96.6 m-85 -94.36 -37.46 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.483 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.41 25.1 6.47 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.658 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 pt -100.23 149.74 36.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 O-C-N 122.905 -0.174 . . . . 0.0 110.741 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.34 164.15 13.46 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.042 1.828 . . . . 0.0 111.815 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -25.92 68.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.95 -62.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.86 -48.24 81.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.965 ' HB3' HG13 ' B' ' 19' ' ' VAL . . . -59.34 -30.73 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.967 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -70.23 -38.9 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.38 -52.96 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.93 -39.03 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -64.71 -33.03 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 -31.68 69.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.92 120.46 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.27 67.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.29 -26.41 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.336 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.89 -24.67 17.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.624 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.54 -59.1 3.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.708 0.29 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.53 160.11 32.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.859 -179.99 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 147' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_